SCHEMBL1813635

SCHEMBL1813635

O=Cc1c(F)cc(C(=O)O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
CA3 P07451 1/20 0.44
MAPT P10636 1/20 0.44
SELL P14151 1/20 0.44
HPGD P15428 1/20 0.44
SELP P16109 1/20 0.44
FUT4 P22083 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 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
SCHEMBL24426994 0.86 KDM4E (0.39) LMNAALDH1A1MAPK1CA12CA1
SCHEMBL15321929 0.86 MAPT (0.42) LMNAALDH1A1MAPK1CA12CA1
SCHEMBL15323116 0.86 TTR (0.48) LMNAALDH1A1MAPK1CA12CA1
SCHEMBL20196046 0.86 TTR (0.48) LMNAALDH1A1MAPK1CA12CA1
SCHEMBL22168037 0.80 CA5A (0.43) LMNAALDH1A1CA5AERN1CES2
SCHEMBL28972927 0.78 CES2 (0.33) LMNAMAPK1MAPTERN1HTT
SCHEMBL25567670 0.77 HDAC6 (0.60) CA12CA1CA9KDM4EHSD17B10
SCHEMBL221480 0.75 CES2 (0.67) LMNAALDH1A1MAPK1CA12CA1
SCHEMBL14213195 0.75 TTR (0.55) LMNAALDH1A1MAPK1CA12CA1
SCHEMBL22465969 0.75 ERN1 (0.66) LMNAALDH1A1MAPK1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112409331-B Heterocyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-02-20 CN disclosed
US-20240034729-A9 HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2024-02-01 US disclosed
US-20230406851-A1 IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.3) LIMITED (GB) 2023-12-21 US disclosed
US-20230348779-A1 FLUORESCENT COMPOUND AND FLUORESCENTLY LABELED BIOLOGICAL SUBSTANCE USING THE SAME FUJIFILM CORPORATION (JP) 2023-11-02 US disclosed
US-20230348779-A1 FLUORESCENT COMPOUND AND FLUORESCENTLY LABELED BIOLOGICAL SUBSTANCE USING THE SAME FUJIFILM CORPORATION (JP) 2023-11-02 US disclosed
US-20230348779-A1 FLUORESCENT COMPOUND AND FLUORESCENTLY LABELED BIOLOGICAL SUBSTANCE USING THE SAME FUJIFILM CORPORATION (JP) 2023-11-02 US disclosed
CN-116635389-A Morpholine derivative, pharmaceutical composition and application thereof 上海海雁医药科技有限公司 2023-08-22 CN disclosed
CN-114085220-B Substituted morpholine-4-carboxylic acid ester derivatives, compositions and pharmaceutical uses thereof 上海海雁医药科技有限公司 2023-06-16 CN disclosed
WO-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 WO disclosed
US-20230068538-A1 HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WUHAN LL SCIENCE & TECHNOLOGY DEVELOPMENT CO LTD (CN) 2023-03-02 US disclosed
WO-2012160464-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-29 WO disclosed
WO-2012158117-A1 COMBINATION THERAPIES FOR TREATING PAIN ASTRAZENECA AB (SE) 2012-11-22 WO disclosed
US-20120289504-A1 Benzoimidazole Compounds and Uses Thereof ASTRAZENECA AB (SE) 2012-11-15 US disclosed
US-20120289504-A1 Benzoimidazole Compounds and Uses Thereof ASTRAZENECA AB (SE) 2012-11-15 US disclosed
US-20120289504-A1 Benzoimidazole Compounds and Uses Thereof ASTRAZENECA AB (SE) 2012-11-15 US disclosed
EP-2501697-A1 BENZOIMIDAZOLE COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2012-09-26 EP disclosed
WO-2011062550-A1 BENZOIMIDAZOLE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2011-05-26 WO disclosed
EP-1572693-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds PHARMACIA CORPORATION 2004-10-21 US disclosed
WO-2004058762-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 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 (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-20230406851-A1 IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF NISCH, ABL1, PAICS LMNA 1763/4885ALDH1A1 664/4885MAPK1 2046/4885
US-20230068538-A1 HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF P2RX3, P2RX7, P2RX4 LMNA 2553/4885ALDH1A1 996/4885MAPK1 2874/4885
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds MAPKAPK2, MAP3K2, MKNK2 LMNA 3207/4885ALDH1A1 4638/4885MAPK1 30/4885
US-20120289504-A1 Benzoimidazole Compounds and Uses Thereof TPMT, BRD4, CYP3A4 LMNA 2661/4885ALDH1A1 441/4885MAPK1 3211/4885
US-20240034729-A9 HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF P2RX3, P2RX7, P2RX4 LMNA 2553/4885ALDH1A1 996/4885MAPK1 2874/4885

“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.