SCHEMBL218985

SCHEMBL218985

Nc1c(Cl)ccc(Cl)c1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.58
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 3/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PBRM1 Q86U86 1/20 0.38
KMO O15229 1/20 0.38
PTGS2 P35354 1/20 0.37
SRD5A2 P31213 1/20 0.36
HAVCR2 Q8TDQ0 1/20 0.36
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
ALOX15 P16050 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL26132916 0.86 DPP4 (0.54) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL7781012 0.83 DPP4 (0.45) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL2127072 0.83 DPP4 (0.45) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL17333135 0.83 DPP4 (0.50) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL18688330 0.83 DPP4 (0.50) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL950473 0.83 KDM4E (0.53) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL7777986 0.83 DPP4 (0.50) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL486824 0.82 DPP4 (0.71) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL3457088 0.80 DPP4 (0.47) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL16702731 0.79 DPP4 (0.68) DPP4ALDH1A1KDM4EHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4161611-A Process for the production of 2-methoxy-3,6-dichlorobenzoic acid Veesicol Chemical Corporation (US) 1979-07-17 US claimed
US-3931300-A Process for the production of dichlorobenzoic acids BASF AKTIENGESELLSCHAFT (DT) 1976-01-06 US claimed
EP-3619205-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2022-04-06 EP disclosed
CN-107827735-B Synthetic method of 2-hydroxy-3, 6-dichlorobenzoic acid 江苏联化科技有限公司 2021-07-30 CN disclosed
US-10954252-B1 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2021-03-23 US disclosed
CN-105968000-B A method of preparing dicamba 四川福思达生物技术开发有限责任公司 2019-03-05 CN disclosed
CN-105859508-B A kind of technique preparing dicamba 四川福思达生物技术开发有限责任公司 2019-03-05 CN disclosed
CN-105859550-B A kind of preparation process of dicamba 四川福思达生物技术开发有限责任公司 2019-03-05 CN disclosed
CN-105884573-B A kind of preparation method of dicamba 四川福思达生物技术开发有限责任公司 2019-03-05 CN disclosed
US-20180298011-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2018-10-18 US disclosed
US-9957275-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2018-05-01 US disclosed
US-5496816-A Carbapenem antibacterial compounds, compositions containing such compounds and methods of treatment MERCK & CO., INC. (US) 1996-03-05 US disclosed
WO-1995025108-A1 CARBAPENEM COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1995-09-21 WO disclosed
US-RE31617-E ANTICOAGULANTS; HYPOTENSIVE AND BRONCHODILATOR AGENTS BRISTOL-MYERS COMPANY (US) 1984-06-26 US disclosed
US-4161611-A Process for the production of 2-methoxy-3,6-dichlorobenzoic acid Veesicol Chemical Corporation (US) 1979-07-17 US disclosed
US-4161611-A Process for the production of 2-methoxy-3,6-dichlorobenzoic acid Veesicol Chemical Corporation (US) 1979-07-17 US disclosed
US-4154745-A Isobenzofuran route to anthracycloquinones RESEARCH CORPORATION (US) 1979-05-15 US disclosed
US-4116981-A 5,12-EPOXY-NAPHTHACENE-6,11-DIONE DERIVATIVES Tsay, Yuh-Geng (TW) 1978-09-26 US disclosed
US-3932407-A BRONCHODILATORS, HYPOTENSIVE AGENTS, ANTICOAGULANTS BRISTOL-MYERS COMPANY (US) 1976-01-13 US disclosed
US-3931300-A Process for the production of dichlorobenzoic acids BASF AKTIENGESELLSCHAFT (DT) 1976-01-06 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-10954252-B1 Inhibitors of human immunodeficiency virus replication EIF2AK2, REV1, POLR2E DPP4 3053/4885ALDH1A1 2628/4885KDM4E 1877/4885
US-20180298011-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS DPP4 32/4885ALDH1A1 1823/4885KDM4E 2069/4885

“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.