SCHEMBL2239902

SCHEMBL2239902

Cc1ccc(-c2ccc(CO)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CYP2A6 P11509 2/20 0.51
DPP4 P27487 2/20 0.46
HSD17B1 P14061 4/20 0.42
HSD17B2 P37059 4/20 0.42
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
APP P05067 2/20 0.40
ESRRG P62508 1/20 0.40

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
SCHEMBL14540532 0.86 HSD17B1 (0.41) MEN1ALDH1A1GLAMAPTHPGD
SCHEMBL27953539 0.82 CYP2A6 (0.54) MEN1ALDH1A1GLAMAPTHPGD
SCHEMBL10332066 0.82 CYP2E1 (0.42) MEN1ALDH1A1KMT2ACYP2A6HSD17B1
SCHEMBL19531540 0.80 CYP2A6 (0.66) CYP2A6HSD17B1HSD17B2CYP2E1CYP3A4
SCHEMBL1160546 0.80 ALDH1A1 (0.52) MEN1ALDH1A1GLAMAPTHPGD
SCHEMBL28280412 0.80 ALDH1A1 (0.52) MEN1ALDH1A1GLAMAPTHPGD
SCHEMBL20746305 0.79 CYP2A6 (0.47) MEN1ALDH1A1GLAMAPTHPGD
SCHEMBL71397 0.79 CYP2A6 (0.65) MEN1ALDH1A1GLAMAPTHPGD
SCHEMBL13197660 0.78 CYP3A4 (0.40) CYP2A6DPP4HSD17B1HSD17B2CYP2E1
SCHEMBL14003448 0.78 CYP3A4 (0.40) CYP2A6DPP4HSD17B1HSD17B2CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107033095-B The Oxazolidinone derivative of the structure of hydrazone containing piperazine 沈阳红旗制药有限公司 2019-05-07 CN disclosed
CN-107033095-A The Jie Gou oxazolidinone compounds of hydrazone containing piperazine 沈阳红旗制药有限公司 2017-08-11 CN disclosed
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
EP-2064193-A1 HETEROCYCLIC GPR40 MODULATORS Amgen, Inc (US) 2009-06-03 EP disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
WO-2008030520-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2008-03-13 WO disclosed
WO-1993003719-A1 ARYLALKYLETHER AND ARYLALKYLTHIOETHER INHIBITORS OF LIPOXYGENASE ENZYME ACTIVITY ABBOTT LABORATORIES (US) 1993-03-04 WO disclosed
US-5183818-A Also for inhibiting leukotriene biosynthesis ABBOTT LABORATORIES (US) 1993-02-02 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 (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-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 MEN1 2521/4885ALDH1A1 1814/4885GLA 2188/4885
US-20080090840-A1 Heterocyclic GPR40 Modulators GPR119, GPR55, GPR65 MEN1 2521/4885ALDH1A1 1814/4885GLA 2188/4885

“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.