SCHEMBL923829

SCHEMBL923829

Cc1ccc(C(=O)OC(=O)[C@H](O)[C@@H](O)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 3/20 0.41
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
LMNA P02545 1/20 0.41
SRD5A2 P31213 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.38
POLB P06746 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
SCHEMBL516874 1.00 TDP1 (0.48) TDP1RAB9ANPC1ADRB2ADRB1
SCHEMBL29733565 1.00 TDP1 (0.48) TDP1RAB9ANPC1ADRB2ADRB1
Water SCHEMBL4813848 0.98 TDP1 (0.47) TDP1RAB9ANPC1ADRB2ADRB1
SCHEMBL29673261 0.93 TDP1 (0.55) TDP1RAB9ANPC1ADRB2ADRB1
SCHEMBL1489599 0.93 TDP1 (0.55) TDP1RAB9ANPC1ADRB2ADRB1
SCHEMBL424471 0.93 TDP1 (0.55) TDP1RAB9ANPC1ADRB2ADRB1
SCHEMBL697038 0.93 TDP1 (0.55) TDP1RAB9ANPC1ADRB2ADRB1
Water SCHEMBL9529895 0.91 TDP1 (0.53) TDP1RAB9ANPC1ADRB2ADRB1
Water SCHEMBL8461991 0.91 TDP1 (0.53) TDP1RAB9ANPC1ADRB2ADRB1
SCHEMBL28794540 0.84 ALOX15 (0.45) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119330893-A Resolution method of nitrogen heterocyclic derivative 南京正大天晴制药有限公司 2025-01-21 CN claimed
CN-114763339-A Process for the preparation of triazine derivatives 江苏恒瑞医药股份有限公司 2022-07-19 CN claimed
CN-119569739-A Compounds and derivatives thereof as MDM2-P53 inhibitors 勃林格殷格翰国际有限公司 2025-03-07 CN disclosed
CN-119569741-A Compounds and derivatives thereof as MDM2-P53 inhibitors 勃林格殷格翰国际有限公司 2025-03-07 CN disclosed
CN-119569740-A Compounds and derivatives thereof as MDM2-P53 inhibitors 勃林格殷格翰国际有限公司 2025-03-07 CN disclosed
CN-119330893-A Resolution method of nitrogen heterocyclic derivative 南京正大天晴制药有限公司 2025-01-21 CN disclosed
CN-114763339-A Process for the preparation of triazine derivatives 江苏恒瑞医药股份有限公司 2022-07-19 CN disclosed
CN-113214270-A Compounds and derivatives thereof as MDM2-P53 inhibitors 勃林格殷格翰国际有限公司 2021-08-06 CN disclosed
CN-108137590-B Spiro (3H-indol-3, 2' -pyrrolidin) -2(1H) -one compounds and their derivatives as MDM2-P53 inhibitors 勃林格殷格翰国际有限公司 2021-04-09 CN disclosed
US-8637522-B2 Pyrazinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2014-01-28 US disclosed
US-20110015210-A1 Pyrazinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PAATENT GESELLSCHAFT (DE) 2011-01-20 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 (1 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-20110015210-A1 Pyrazinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes GLP1R, IAPP, INSR TDP1 4595/4885RAB9A 2898/4885NPC1 3004/4885

“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.