SCHEMBL3071920

SCHEMBL3071920

O=S(=O)(Cl)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.66
PTGS2 P35354 4/20 0.49
PTGS1 P23219 2/20 0.49
PDPK1 O15530 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
KDM1A O60341 1/20 0.44

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
SCHEMBL61336 0.94 KIF11 (0.55) KIF11PTGS2PTGS1MMP1
Methylene Chloride SCHEMBL3042021 0.88 KIF11 (0.50) KIF11PTGS2PTGS1MMP1
SCHEMBL14120499 0.86 RXRA (0.51) KIF11PDPK1
SCHEMBL7538033 0.84 KIF11 (0.47) KIF11PTGS2PTGS1
SCHEMBL3106187 0.82 CA1 (0.50) KIF11PTGS2MMP1MMP2MMP3
SCHEMBL9996829 0.82 KIF11 (0.54) KIF11MMP1MMP2MMP9MMP13
SCHEMBL150162 0.82 ALDH1A1 (0.60) KIF11
SCHEMBL5891023 0.82 ALDH1A1 (0.60) KIF11
SCHEMBL5565766 0.81 KIF11 (0.48) KIF11PDPK1MMP1MMP2MMP9
SCHEMBL18547450 0.80 SRD5A2 (0.62)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718264-B1 BENZOCYCLOHEPTENE ACETIC ACIDS HOFFMANN LA ROCHE (CH) 2015-08-05 EP disclosed
EP-2718264-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 EP disclosed
CN-103596925-A Benzocycloheptene acetic acids HOFFMANN LA ROCHE 2014-02-19 CN disclosed
WO-2012168162-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
WO-2012163179-A1 HEXAHYDRODIBENZO[A,G]QUINOLIZINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 (CN) 2012-12-06 WO disclosed
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS FIROOZNIA FARIBORZ (US) 2012-12-06 US disclosed
US-20100234378-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-09-16 US disclosed
EP-1444202-B1 NOVEL METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2008-10-15 EP disclosed
WO-2008024784-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2008-02-28 WO disclosed
US-7132434-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2006-11-07 US disclosed
US-20050026990-A1 Novel metalloproteinase ihibitors ASTRAZENECA AB (SE) 2005-02-03 US disclosed
EP-1444202-A1 NOVEL METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040098-A1 NOVEL METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2003-05-15 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 (3 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-20100234378-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS MMP3, MMP11, MMP13 KIF11 1231/4885PTGS2 380/4885PTGS1 461/4885
US-20050026990-A1 Novel metalloproteinase ihibitors MMP12, MMP1, MMP16 KIF11 3438/4885PTGS2 190/4885PTGS1 115/4885
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS ACAT2, ACAT1, CYP27A1 KIF11 2578/4885PTGS2 560/4885PTGS1 365/4885

“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.