SCHEMBL3223480

SCHEMBL3223480

Cc1c[nH]c2ccc(S(C)(=O)=O)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDO2 P48775 1/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
TP53 P04637 1/20 0.40
HTR7 P34969 1/20 0.40
HTR5A P47898 1/20 0.40
HTR6 P50406 1/20 0.40
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
PKM P14618 1/20 0.38
CDK1 P06493 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL27733567 0.84 ATM (0.44) ATMMEN1KMT2ATDO2MAPT
SCHEMBL31130039 0.81 MAPT (0.54) ATMMEN1KMT2AMAPTPOLB
SCHEMBL8534023 0.81 TDO2 (0.49) SPRMEN1KMT2ATDO2POLB
SCHEMBL3626275 0.81 G6PD (0.46) SPRMEN1KMT2ATDO2MAPT
SCHEMBL23612225 0.78 GAA (0.58) SPRMEN1KMT2AMAPTPOLB
SCHEMBL27528224 0.78 ALDH1A1 (0.45) SPRMEN1KMT2ATDO2MAPT
SCHEMBL15902102 0.78 ALDH1A1 (0.58) SPRMEN1KMT2ATDO2MAPT
SCHEMBL18853864 0.78 SPR (0.43) SPRMEN1KMT2ATDO2MAPT
SCHEMBL29085139 0.77 ALDH1A1 (0.44) SPRMEN1KMT2ATDO2MAPT
SCHEMBL16018002 0.77 KMT2A (0.47) SPRMEN1KMT2ATDO2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-9000175-B2 Bicyclic GPR119 modulators LUPIN LIMITED (IN) 2015-04-07 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
US-20130245000-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2013-09-19 US disclosed
CN-101646656-B Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI AVENTIS SPA 2013-08-14 CN disclosed
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP disclosed
US-20120245344-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2012-09-27 US disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US disclosed
EP-2474540-A1 GPR119 AGONIST Nippon Chemiphar Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US disclosed
CN-101646656-A Pyrimidine hydrazide compounds as the PGDS inhibitor SANOFI AVENTIS FR 2010-02-10 CN 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-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 SPR 1894/4885ATM 2482/4885MEN1 4322/4885
US-20130245000-A1 BICYCLIC GPR119 MODULATORS GPR119, GPR180, GPBAR1 SPR 2600/4885ATM 4493/4885MEN1 2711/4885
US-20120245344-A1 GPR119 AGONIST GPR119, GPR4, GPR55 SPR 3618/4885ATM 4091/4885MEN1 3971/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN SPR 631/4885ATM 4697/4885MEN1 2645/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN SPR 631/4885ATM 4697/4885MEN1 2645/4885

“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.