SCHEMBL3316495

SCHEMBL3316495

C=CCOc1ccc(Br)cc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.70
TSHR P16473 1/20 0.70
HPGD P15428 2/20 0.56
ALDH1A1 P00352 1/20 0.56
PTGDR2 Q9Y5Y4 4/20 0.51
LIG1 P18858 1/20 0.51
MAPK1 P28482 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MYC P01106 1/20 0.43

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
SCHEMBL10737872 0.89 GAA (0.60) GAATSHRHPGDALDH1A1PTGDR2
SCHEMBL20471940 0.88 GAA (0.58) GAATSHRHPGDALDH1A1PTGDR2
SCHEMBL2187709 0.88 PTGDR2 (0.64) GAATSHRHPGDALDH1A1PTGDR2
SCHEMBL31083916 0.85 PTGDR2 (0.53) GAATSHRPTGDR2MEN1KMT2A
SCHEMBL3933331 0.85 GAA (0.52) GAATSHRHPGDALDH1A1PTGDR2
SCHEMBL20802641 0.84 KDM4E (0.52) GAATSHRHPGDALDH1A1PTGDR2
SCHEMBL9960072 0.84 GAA (0.70) GAATSHRHPGDALDH1A1PTGDR2
SCHEMBL18614861 0.84 GAA (0.70) GAATSHRHPGDALDH1A1LIG1
SCHEMBL8168167 0.83 TSHR (0.68) GAATSHRHPGDALDH1A1LIG1
SCHEMBL20471955 0.83 TSHR (0.68) GAATSHRHPGDALDH1A1LIG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3580224-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2022-07-13 EP disclosed
EP-3580224-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2022-07-13 EP disclosed
US-11168095-B2 ASK1 inhibiting agents BIOGEN MA INC. (US) 2021-11-09 US disclosed
US-11168095-B2 ASK1 inhibiting agents BIOGEN MA INC. (US) 2021-11-09 US disclosed
WO-2018148204-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2018-08-16 WO disclosed
US-8466199-B2 Allyloxy and alkyloxy benzoic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-06-18 US disclosed
US-8466199-B2 Allyloxy and alkyloxy benzoic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-06-18 US disclosed
US-8466199-B2 Allyloxy and alkyloxy benzoic acid delivery agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-06-18 US disclosed
US-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-04-29 US disclosed
US-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-04-29 US disclosed
EP-2136624-A1 ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS Emisphere Technologies, Inc. (US) 2009-12-30 EP disclosed
WO-2008116141-A1 ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-09-25 WO disclosed
WO-2008116141-A1 ALLYLQXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-09-25 WO disclosed
CN-1114598-C Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 2003-07-16 CN disclosed
EP-0847391-B1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2001-12-19 EP disclosed
US-6313148-B1 FOR THERAPY OF PAIN PAIN ASSOCIATED WITH JOINT CONDITIONS SUCH AS RHEUMATOID ARTHRITIS AND OSTEOARTHRITIS, POSTOPERATIVE PAIN, POST-PARTUM PAIN, THE PAIN ASSOCIATED WITH DENTAL CONDITIONS SUCH AS DENTAL CARIES AND GINGIVITIS ZENECA LIMITED (GB) 2001-11-06 US disclosed
US-6100258-A 6-(N-(5-BROMO-2-(2-METHYLPROP-2-EN-1-YLOXY)BENZYL)-N -ETHYLAMINO)-PYRIDAZIN-3-YLCARBOXYLIC ACID, AND OTHER 3,6-DISUBSTITUTED PYRIDAZINE DERIVATIVES OF SPECIFIED FORMULA; RELIEVING PAIN ZENECA LIMITED (GB) 2000-08-08 US disclosed
CN-1193966-A Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 1998-09-23 CN disclosed
EP-0847391-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-06-17 EP disclosed
WO-1997000864-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1997-01-09 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 (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-11168095-B2 ASK1 inhibiting agents MAP3K1, MAP3K10, MAP3K20 GAA 2855/4885TSHR 3906/4885HPGD 2632/4885
US-20100105604-A1 ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS ABCB11, TSPO, AADAC GAA 61/4885TSHR 3962/4885HPGD 475/4885

“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.