SCHEMBL1125437

SCHEMBL1125437

CC(Oc1cccc(CBr)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.47
PPARG P37231 9/20 0.46
PPARA Q07869 5/20 0.46
PPARD Q03181 2/20 0.46
PTGES O14684 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
KMT2A Q03164 1/20 0.42
MEP1B Q16820 1/20 0.42

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
SCHEMBL3921799 1.00 CYP2C9 (0.50) CYP2C9CYP1A2GAAPKMCYP2C19
SCHEMBL4297086 0.85 CYP2C9 (0.51) CYP2C9CYP1A2GAAPKMCYP2C19
SCHEMBL15672574 0.85 TDP1 (0.51) CYP2C9CYP1A2GAAPKMCYP2C19
SCHEMBL2939051 0.85 CYP2C9 (0.51) CYP2C9CYP1A2GAAPKMCYP2C19
SCHEMBL7471783 0.85 TDP1 (0.51) CYP2C9CYP1A2GAAPKMCYP2C19
SCHEMBL15672572 0.85 TDP1 (0.51) CYP2C9CYP1A2GAAPKMCYP2C19
SCHEMBL14122553 0.84 ALDH1A1 (0.49) PTGESALDH1A1MAPTMEP1B
SCHEMBL14121970 0.84 ALDH1A1 (0.49) PTGESALDH1A1MAPTMEP1B
SCHEMBL14121968 0.84 ALDH1A1 (0.49) PTGESALDH1A1MAPTMEP1B
SCHEMBL14122012 0.84 PPARG (0.47) PPARGPPARAPTGESALDH1A1KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-01-11 US disclosed
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis SCRIPPS RESEARCH INST (US) 2023-03-09 US disclosed
US-10744117-B2 PPARG modulators for the treatment of osteoporosis THE SCRIPPS RESEARCH INSTITUTE (US) 2020-08-18 US disclosed
US-20180369196-A1 PPARG Modulators for the Treatment of Osteoporosis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-12-27 US disclosed
US-10016394-B2 PPARG modulators for treatment of osteoporosis THE SCRIPPS RESEARCH INSTITUTE (US) 2018-07-10 US disclosed
US-20170035730-A1 PPARG MODULATORS FOR TREATMENT OF OSTEOPOROSIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2017-02-09 US disclosed
WO-2015161108-A1 PPARG MODULATORS FOR TREATMENT OF OSTEOPOROSIS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-10-22 WO disclosed
US-9051265-B2 N-benzylindole modulators of PPARG THE SCRIPPS RESEARCH INSTITUTE (US) 2015-06-09 US disclosed
WO-2013078233-A1 N-BENZYLBENZIMIDAZOLE MODULATORS OF PPARG RIPKA AMY S (US) 2013-05-30 WO disclosed
WO-2012170561-A1 N-BENZYLINDOLE MODULATORS OF PPARG THE SCRIPPS RESEARCH INSTITUTE (T.S.R.I.) (US) 2012-12-13 WO disclosed
US-20120309769-A1 N-BENZYLINDOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE (US) 2012-12-06 US disclosed
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP 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 (7 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-20170035730-A1 PPARG MODULATORS FOR TREATMENT OF OSTEOPOROSIS PPARG, PPARA, PPARD CYP2C9 4314/4885CYP1A2 3613/4885GAA 3582/4885
US-10016394-B2 PPARG modulators for treatment of osteoporosis PPARG, PPARA, PPARD CYP2C9 4314/4885CYP1A2 3613/4885GAA 3582/4885
US-20120309769-A1 N-BENZYLINDOLE MODULATORS OF PPARG PPARG, CDK5R1, CDK5 CYP2C9 3550/4885CYP1A2 2946/4885GAA 3460/4885
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD CYP2C9 3963/4885CYP1A2 3409/4885GAA 3259/4885
US-20180369196-A1 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD CYP2C9 3963/4885CYP1A2 3409/4885GAA 3259/4885
US-10744117-B2 PPARG modulators for the treatment of osteoporosis PPARG, PPARA, PPARD CYP2C9 3963/4885CYP1A2 3409/4885GAA 3259/4885
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD CYP2C9 3963/4885CYP1A2 3409/4885GAA 3259/4885

“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.