SCHEMBL3880988

SCHEMBL3880988

CCCS(=O)(=O)c1ccc(C[NH])cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CA2 P00918 6/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL5647594 0.82 PSIP1 (0.46) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL28906881 0.80 CA2 (0.53) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3882769 0.80 PSIP1 (0.74) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3060869 0.80 PSIP1 (0.47) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1941301 0.80 PSIP1 (0.47) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL10619867 0.79 ALDH1A1 (0.47) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5325324 0.77 CA2 (0.56) PSIP1ALDH1A1CA2SMN1; SMN2KMT2A
SCHEMBL92881 0.77 ALDH1A1 (0.72) ALDH1A1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL165901 0.76 ALDH1A1 (0.58) ALDH1A1CA2GAAKMT2ARORC
SCHEMBL20709277 0.76 ALDH1A1 (0.50) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482356-B2 Bicyclic pyrazolone cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 — — US claimed
JP-2007510739-A — — 2007-04-26 — — JP claimed
EP-1682551-A2 BICYCLIC PYRAZOLONE CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2006-07-26 — — EP claimed
WO-2005047287-A2 BICYCLIC PYRAZOLONE CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-05-26 — — WO claimed
US-20050113392-A1 Bicyclic pyrazolone cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-05-26 — — US claimed
US-20090069355-A1 Bicyclic pyrazolone cytokine inhibitors CLARK MICHAEL PHILIP 2009-03-12 — — US disclosed
US-7482356-B2 Bicyclic pyrazolone cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 — — US disclosed
US-7368455-B2 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2008-05-06 — — US disclosed
US-7326714-B2 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2008-02-05 — — US disclosed
EP-1427728-B1 6,7-DIHYDRO-5H-PYRAZOLO 1,2-A PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY cYTOKINES PROCTER & GAMBLE (US) 2007-03-07 — — EP disclosed
US-7087615-B2 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which provide analgesia THE PROCTER & GAMBLE COMPANY (US) 2006-08-08 — — US disclosed
EP-1682551-A2 BICYCLIC PYRAZOLONE CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2006-07-26 — — EP disclosed
US-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines PROCTER & GAMBLE COMPANY, THE 2003-12-04 — — US disclosed
WO-2003080184-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS THE PROCTER & GAMBLE COMPANY (US) 2003-10-02 — — WO disclosed
US-20030134867-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2003-07-17 — — US disclosed
US-20030105084-A1 Compound which inhibit the release of inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2003-06-05 — — US disclosed
US-6566357-B1 To inhibit the extracellular release of inflammatory cytokines; therapy THE PROCTER & GAMBLE CO. 2003-05-20 — — US disclosed
WO-2003024973-A1 SPIROCYCLIC-6,7-DIHYDRO-5H-PYRAZOLO[1,2-A]PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 — — WO disclosed
WO-2003024971-A1 6,7-DIHYDRO-5H-PYRAZOLO[1,2-A]PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 — — WO disclosed
WO-2003024970-A1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 — — WO 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 (5 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-20030105084-A1 Compound which inhibit the release of inflammatory cytokines IL1B, IL1A, TNF PSIP1 3766/4885ALDH1A1 221/4885CYP3A4 370/4885
US-20050113392-A1 Bicyclic pyrazolone cytokine inhibitors IL1B, IL1A, IL1RN PSIP1 3291/4885ALDH1A1 385/4885CYP3A4 1560/4885
US-20030134867-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines IL1B, IL6, IL1A PSIP1 3893/4885ALDH1A1 795/4885CYP3A4 757/4885
US-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines IL1B, IL1A, IL1R1 PSIP1 2783/4885ALDH1A1 122/4885CYP3A4 757/4885
US-20090069355-A1 Bicyclic pyrazolone cytokine inhibitors IL1B, IL1A, IL1RN PSIP1 3291/4885ALDH1A1 385/4885CYP3A4 1560/4885

“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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