SCHEMBL3277109

SCHEMBL3277109

O=C1SC(=Cc2cc(Cl)ccc2O)C(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 1/20 0.61
▸ ALOX5 P09917 1/20 0.51
▸ NLRP3 Q96P20 1/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ PIM1 P11309 1/20 0.48
▸ PPARG P37231 5/20 0.47
▸ PTPN1 P18031 3/20 0.42
▸ ACP1 P24666 2/20 0.42
▸ SLC2A1 P11166 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ DNMT1 P26358 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ DUSP3 P51452 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3277107 1.00 AMY1A (0.61) AMY1AALOX5NLRP3MEN1KMT2A
SCHEMBL5462391 0.78 NLRP3 (0.62) NLRP3PIM1PPARGPTPN1ACP1
SCHEMBL5462396 0.78 NLRP3 (0.62) NLRP3PIM1PPARGPTPN1ACP1
SCHEMBL5461873 0.77 MEN1 (0.57) ALOX5NLRP3MEN1KMT2APOLB
SCHEMBL5461877 0.77 MEN1 (0.57) ALOX5NLRP3MEN1KMT2APOLB
SCHEMBL5463951 0.76 PIM1 (0.58) NLRP3MEN1KMT2APOLBPIM1
SCHEMBL5463955 0.76 PIM1 (0.58) NLRP3MEN1KMT2APOLBPIM1
SCHEMBL5787551 0.75 NLRP3 (0.64) AMY1AALOX5NLRP3MEN1KMT2A
SCHEMBL5787549 0.75 NLRP3 (0.64) AMY1AALOX5NLRP3MEN1KMT2A
SCHEMBL5460280 0.74 MEN1 (0.60) AMY1AALOX5NLRP3MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 — — US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 — — US 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

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-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 AMY1A 133/4885ALOX5 246/4885NLRP3 305/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT AMY1A 176/4885ALOX5 281/4885NLRP3 488/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 AMY1A 1321/4885ALOX5 1913/4885NLRP3 932/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR AMY1A 100/4885ALOX5 298/4885NLRP3 295/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR AMY1A 111/4885ALOX5 316/4885NLRP3 276/4885

“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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