SCHEMBL2074231

SCHEMBL2074231

COc1cc(Br)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.51
AAK1 Q2M2I8 7/20 0.48
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PIK3CD O00329 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
KDR P35968 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
BACE1 P56817 1/20 0.44
PRKDC P78527 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
GAA P10253 2/20 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
SCHEMBL30746576 1.00 LPAR1 (0.51) LPAR1AAK1PKMHTTPOLB
SCHEMBL2073767 0.88 AAK1 (0.47) AAK1HTTPOLBMAPTMEN1
SCHEMBL23958628 0.85 AAK1 (0.49) LPAR1AAK1NPC1RAB9ABACE1
SCHEMBL30007095 0.85 AAK1 (0.49) LPAR1AAK1NPC1RAB9ABACE1
SCHEMBL15457550 0.85 EPHX1 (0.57) LPAR1PKMHTTPOLBMAPT
SCHEMBL6961002 0.85 AAK1 (0.47) AAK1HTTPOLBMAPTMEN1
SCHEMBL24427621 0.85 IDH1 (0.48) AAK1NPC1RAB9AKDRRECQL
SCHEMBL30832668 0.85 IDH1 (0.48) AAK1NPC1RAB9AKDRRECQL
SCHEMBL1519234 0.84 AAK1 (0.49) AAK1NPC1RAB9ARECQLSMN1; SMN2
SCHEMBL30175900 0.84 AAK1 (0.49) AAK1NPC1RAB9ARECQLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250376452-A1 17-Beta-Hydroxysteroid Dehydrogenase Type 13 Inhibitors and Methods of Use Thereof ENANTA PHARM INC (US) 2025-12-11 US disclosed
US-20250288571-A1 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS NESTED THERAPEUTICS, INC. 2025-09-18 US disclosed
US-12384753-B2 17-beta-hydroxysteroid dehydrogenase type 13 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2025-08-12 US disclosed
EP-4551558-A2 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS Nested Therapeutics, Inc. (US) 2025-05-14 EP disclosed
WO-2025059074-A1 BICYCLIC COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2025-03-20 WO disclosed
US-RE50082-E1 (5,6-dihydro)pyrimido[4,5-e]indolizines NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2024-08-20 US disclosed
US-12054784-B2 Prognostic biomarkers for TTK inhibitor chemotherapy NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2024-08-06 US disclosed
EP-4387603-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF Enanta Pharmaceuticals, Inc. (US) 2024-06-26 EP disclosed
CN-118103038-A 17 Beta-hydroxysteroid dehydrogenase 13 inhibitors and methods of use thereof 英安塔制药有限公司 2024-05-28 CN disclosed
WO-2024010925-A2 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS NESTED THERAPEUTICS, INC. (US) 2024-01-11 WO disclosed
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 US disclosed
WO-2005010009-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-02-03 WO disclosed
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES 2005-02-03 US disclosed
US-20050020619-A1 Thienopyridine kinase inhibitors ABBOTT LABORATORIES 2005-01-27 US disclosed
US-20040058933-A1 Aryl carbamate derivatives, preperation and use thereof CEREP (FR) 2004-03-25 US disclosed
EP-1362041-A1 ARYL CARBAMATE DERIVATIVES, PREPARATION AND USE THEREOF Cerep (FR) 2003-11-19 EP disclosed
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-10-02 US disclosed
WO-2002068399-A1 ARYL CARBAMATE DERIVATIVES, PREPARATION AND USE THEREOF CEREP (FR) 2002-09-06 WO disclosed
EP-1114052-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 EP disclosed
WO-2000017202-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 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 (9 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-20050020619-A1 Thienopyridine kinase inhibitors ABL1, MAP4K2, MAP4K5 LPAR1 3213/4885AAK1 275/4885PKM 670/4885
US-20250376452-A1 17-Beta-Hydroxysteroid Dehydrogenase Type 13 Inhibitors and Methods of Use Thereof HSD17B1, HSD17B13, HSD17B3 LPAR1 3419/4885AAK1 3674/4885PKM 800/4885
US-12054784-B2 Prognostic biomarkers for TTK inhibitor chemotherapy TTBK1, CTNNB1, TTK LPAR1 4644/4885AAK1 434/4885PKM 2427/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK LPAR1 3918/4885AAK1 304/4885PKM 737/4885
US-20040058933-A1 Aryl carbamate derivatives, preperation and use thereof HTR4, HTR5A, HTR3C LPAR1 573/4885AAK1 4422/4885PKM 1446/4885
US-12384753-B2 17-beta-hydroxysteroid dehydrogenase type 13 inhibitors and methods of use thereof HSD17B1, HSD17B13, HSD17B3 LPAR1 3419/4885AAK1 3674/4885PKM 800/4885
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS LCK, PPP5C, DUSP1 LPAR1 4357/4885AAK1 292/4885PKM 1125/4885
US-20250288571-A1 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS BRAF, MAP3K1, MAP3K5 LPAR1 1674/4885AAK1 197/4885PKM 562/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK LPAR1 3918/4885AAK1 304/4885PKM 737/4885

“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.