SCHEMBL3367299

SCHEMBL3367299

O=S(=O)(Cl)NCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 3/20 0.54
TAAR1 Q96RJ0 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GAA P10253 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
BLM P54132 1/20 0.53
GFER P55789 1/20 0.53
PMP22 Q01453 1/20 0.53
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50

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
SCHEMBL27426082 0.82 POLB (0.71) PRMT1TAAR1HSD17B10GAAALDH1A1
SCHEMBL1168754 0.79 ALDH1A1 (0.63) PRMT1TAAR1HSD17B10GAAALDH1A1
SCHEMBL21034352 0.79 TAAR1 (0.59) PRMT1TAAR1HSD17B10GAAALDH1A1
SCHEMBL1414871 0.79 CA1 (0.67) PRMT1TAAR1HSD17B10GAAALDH1A1
SCHEMBL4601440 0.79 CA1 (0.59) PRMT1TAAR1HSD17B10GAAALDH1A1
SCHEMBL4520702 0.79 POLB (0.79) PRMT1TAAR1HSD17B10GAAALDH1A1
SCHEMBL15672851 0.79 MEN1 (0.58) PRMT1TAAR1HSD17B10GAAALDH1A1
SCHEMBL12601599 0.79 POLB (0.51) PRMT1TAAR1HSD17B10GAAALDH1A1
SCHEMBL11103294 0.79 CA1 (0.66) PRMT1TAAR1HSD17B10GAAALDH1A1
SCHEMBL1156320 0.78 CA12 (0.68) ALDH1A1LMNACYP3A4POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672036-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1995-09-20 EP claimed
EP-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
EP-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 EP disclosed
US-7335687-B2 2,3-Oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2008-02-26 US disclosed
US-7189756-B2 Pyrrolidine derivatives HOFFMAN-LA ROCHE INC. (US) 2007-03-13 US disclosed
US-6964974-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-11-15 US disclosed
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors ACKERMANN JEAN (CH) 2005-08-11 US disclosed
US-6858651-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-02-22 US disclosed
US-20040242672-A1 Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia AEBI JOHANNES (CH) 2004-12-02 US disclosed
US-6790860-B2 USEFUL AS INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; EFFECTIVE IN TREATING DISEASE STATES ASSOCIATED WITH VASOCONSTRICTION HOFFMANN-LA ROCHE INC. 2004-09-14 US disclosed
WO-2002008185-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 WO disclosed
WO-2002006189-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed
WO-2001081322-A1 NON-IMIDAZOLE BENZODIAZEPINE INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-01 WO disclosed
EP-0371253-B1 Method and reagents for detecting amphetamine and/or d-methamphetamine in biological samples ABBOTT LAB (US) 1995-09-13 EP disclosed
US-5262333-A Fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1993-11-16 US disclosed
EP-0279213-B1 FLUORESCENCE POLARIZATION IMMUNOASSAY FOR AMPHETAMINE/METHAMPHETAMINE ABBOTT LABORATORIES (US) 1992-10-21 EP disclosed
US-4952336-A USING TWO FLUORESCEIN TRACER DERIVATIVES ABBOTT LABORATORIES (US) 1990-08-28 US disclosed
EP-0371253-A2 Method and reagents for detecting amphetamine and/or d-methamphetamine in biological samples ABBOTT LABORATORIES (US) 1990-06-06 EP disclosed
US-4868132-A BINDING TO A FLUORESCEIN TYPE TRACER, PRETREATMENT WITH PERIODATE ABBOTT LABORATORIES (US) 1989-09-19 US disclosed
EP-0279213-A1 Fluorescence polarization immunoassay for amphetamine/methamphetamine ABBOTT LABORATORIES (US) 1988-08-24 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 (2 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-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 PRMT1 1751/4885TAAR1 3875/4885HSD17B10 39/4885
US-20040242672-A1 Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia MMP1, PEPD, MMP25 PRMT1 234/4885TAAR1 3619/4885HSD17B10 1677/4885

“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.