SCHEMBL131370

SCHEMBL131370

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ MAPK14 Q16539 2/20 0.52
▸ HTR2B P41595 1/20 0.52
▸ MGLL Q99685 2/20 0.51
▸ P2RX1 P51575 5/20 0.50
▸ P2RX4 Q99571 2/20 0.50
▸ P2RX7 Q99572 2/20 0.50
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ TMPRSS4 Q9NRS4 4/20 0.48
▸ PRSS12 P56730 1/20 0.48
▸ CHRM2 P08172 2/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ RHOC P08134 1/20 0.48
▸ RHOA P61586 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL130118 0.89 CYP2C9 (0.50) CYP2C9CYP2C19MAPK14HTR2BMGLL
SCHEMBL3277363 0.87 LRRK2 (0.50) CYP2C9CYP2C19MAPK14HTR2BMGLL
SCHEMBL128623 0.81 P2RX1 (0.60) P2RX1P2RX4P2RX7TMPRSS4RHOC
SCHEMBL3924150 0.76 CYP2C9 (0.64) CYP2C9CYP2C19MAPK14HTR2BMGLL
SCHEMBL23388964 0.75 P2RX1 (0.67) P2RX1P2RX4P2RX7TMPRSS4MEN1
SCHEMBL29781402 0.75 P2RX1 (0.67) P2RX1P2RX4P2RX7TMPRSS4MEN1
SCHEMBL130726 0.74 LRRK2 (0.54) P2RX1
SCHEMBL18657469 0.74 ALDH1A1 (0.61) MEN1KMT2A
SCHEMBL131927 0.74 P2RX1 (0.72) P2RX1P2RX4P2RX7TMPRSS4MEN1
SCHEMBL24398131 0.74 FAAH (0.60) MGLLCA12CA1CA2CA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 — — US disclosed
EP-1844766-B1 Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2012-04-18 — — EP disclosed
EP-1352650-B1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES INST MED MOLECULAR DESIGN INC (JP) 2012-03-07 — — EP disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 — — US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 — — US disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 — — US disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 — — US disclosed
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 — — US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 — — US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 — — US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 — — US disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 — — EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 — — EP disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 — — US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 — — US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 — — US disclosed
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-11 — — US disclosed
US-20060014811-A1 Medicament for treatment of cancer INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-19 — — US disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 — — US disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA CYP2C9 4462/4885CYP2C19 4659/4885MAPK14 395/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 CYP2C9 2244/4885CYP2C19 1303/4885MAPK14 2290/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 CYP2C9 3768/4885CYP2C19 4156/4885MAPK14 3489/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT CYP2C9 2245/4885CYP2C19 1187/4885MAPK14 2111/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CYP2C9 2082/4885CYP2C19 1929/4885MAPK14 512/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CYP2C9 2035/4885CYP2C19 1840/4885MAPK14 437/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CYP2C9 2035/4885CYP2C19 1840/4885MAPK14 437/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CYP2C9 2035/4885CYP2C19 1840/4885MAPK14 437/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 CYP2C9 4580/4885CYP2C19 4710/4885MAPK14 523/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR CYP2C9 1934/4885CYP2C19 1222/4885MAPK14 2398/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR CYP2C9 1984/4885CYP2C19 1171/4885MAPK14 2265/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB CYP2C9 2889/4885CYP2C19 2296/4885MAPK14 404/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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