SCHEMBL2426286

SCHEMBL2426286

Cc1cc(-c2ccccc2)cc(C(=O)O)c1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
PTPN1 P18031 3/20 0.50
AKR1C2 P52895 3/20 0.49
AKR1C1 Q04828 3/20 0.49
ACMSD Q8TDX5 3/20 0.49
MCL1 Q07820 3/20 0.49
HNF4A P41235 2/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
DHFR P00374 1/20 0.49
PTPN2 P17706 1/20 0.47
PTPN6 P29350 1/20 0.47
DHODH Q02127 1/20 0.47
LDHA P00338 1/20 0.46
IKBKB O14920 2/20 0.46
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL1553215 0.91 KDM4E (0.70) KDM4EAKR1C2AKR1C1MCL1ALDH1A1
SCHEMBL22732563 0.85 KDM4E (0.54) KDM4EAKR1C2AKR1C1ACMSDMCL1
SCHEMBL6811268 0.83 ALDH1A1 (0.52) KDM4EALDH1A1TSHRTDP1KMT2A
SCHEMBL14784538 0.81 PTPN1 (0.53) PTPN1AKR1C2AKR1C1ACMSDMCL1
SCHEMBL807863 0.80 ALDH1A1 (0.70) KDM4EALDH1A1TP53CYP3A4TSHR
SCHEMBL23645561 0.80 IKBKB (0.56) KDM4EPTPN1AKR1C2AKR1C1ACMSD
SCHEMBL8046560 0.80 PTPN1 (0.66) KDM4EPTPN1AKR1C2AKR1C1ACMSD
SCHEMBL12292220 0.80 PTPN1 (0.66) KDM4EPTPN1AKR1C2AKR1C1ACMSD
SCHEMBL23645656 0.80 DHODH (0.55) KDM4EMCL1DHODHALDH1A1TDP1
SCHEMBL27786187 0.79 PTPN1 (0.58) PTPN1AKR1C2AKR1C1ACMSDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 US claimed
CN-102592040-B The method of drug discovery 基德姆生物科学有限公司 2016-12-21 CN disclosed
US-20160314241-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2016-10-27 US disclosed
US-20160314241-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2016-10-27 US disclosed
US-20160314241-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2016-10-27 US disclosed
US-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 US disclosed
US-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 US disclosed
US-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 US disclosed
EP-2581849-A1 Drug discovery method KEDDEM BIO-SCIENCE LTD. (IL) 2013-04-17 EP disclosed
CN-102592040-A Drug discovery method KEDDEM BIO SCIENCE LTD 2012-07-18 CN disclosed
EP-1540329-A4 DRUG DISCOVERY METHOD KEDDEM BIO SCIENCE LTD (IL) 2009-06-10 EP disclosed
US-20050277117-A1 Drug discovery method KEDDEM BIO-SCIENCE LTD. (IL) 2005-12-15 US disclosed
EP-1379516-B1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-11-16 EP disclosed
CN-1668918-A Methods of Drug Discovery KEDDEM BIO SCIENCE LTD (IL) 2005-09-14 CN disclosed
EP-1540329-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2005-06-15 EP disclosed
US-6903086-B2 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2005-06-07 US disclosed
WO-2004010136-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2004-01-29 WO disclosed
EP-1379516-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-20020165235-A1 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2002-11-07 US disclosed
WO-2002070500-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-12 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 (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-20020165235-A1 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists GPBAR1, GABRP, TBXA2R KDM4E 4590/4885PTPN1 460/4885AKR1C2 935/4885

“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.