SCHEMBL3592508

SCHEMBL3592508

O=C(O)C(CCc1ccccc1F)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PTGER1 P34995 1/20 0.43
PTGFR P43088 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
AOC3 Q16853 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
SCHEMBL12930788 0.85 TAAR1 (0.50) TAAR1ALDH1A1KMT2AMEN1GAA
SCHEMBL27728237 0.84 TSHR (0.46) TAAR1PPARGPPARAALDH1A1KMT2A
SCHEMBL22444963 0.84 SLC1A5 (0.53) TAAR1PPARGPPARA
SCHEMBL16148359 0.84 SLC1A5 (0.53) TAAR1PPARGPPARA
SCHEMBL16148360 0.84 SLC1A5 (0.53) TAAR1PPARGPPARA
SCHEMBL31691522 0.84 SLC1A5 (0.53) TAAR1PPARGPPARA
SCHEMBL3589962 0.81 GAA (0.52) TAAR1ALDH1A1KMT2AMEN1GAA
SCHEMBL7565996 0.80 TDP1 (0.50) TAAR1ALDH1A1KMT2AMEN1GAA
SCHEMBL31369510 0.80 TAAR1 (0.49) TAAR1PPARGPPARAALDH1A1KMT2A
SCHEMBL27486945 0.80 MEN1 (0.43) TAAR1PPARGPPARAALDH1A1KMT2A

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-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 US disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 US disclosed
EP-2128154-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2009-12-02 EP disclosed
EP-0987248-B1 Amide derivatives and their therapeutic use WELLCOME FOUND (GB) 2002-09-04 EP disclosed
US-6124284-A REDUCED SIDE EFFECTS GLAXO WELLCOME INC. (US) 2000-09-26 US disclosed
EP-0987248-A1 Amide derivatives and their therapeutic use THE WELLCOME FOUNDATION LIMITED (GB) 2000-03-22 EP disclosed
US-5872118-A RELAXATION OF SKELETAL MUSCLE IN SPASTIC, HYPERTONIC AND HYPERKINETIC CONDITIONS GLAXO WELLCOME INC. (US) 1999-02-16 US disclosed
CN-1041720-C Bicyclic amide derivatives, preparation method thereof, pharmaceutical composition and pharmaceutical application thereof WELLCOME FOUND (GB) 1999-01-20 CN disclosed
CN-1125938-A Bicyclic amide derivatives and their use as muscle relaxants WELLCOME FOUND (GB) 1996-07-03 CN disclosed
EP-0699180-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-06 EP disclosed
WO-1994026693-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO disclosed
WO-1994026692-A1 BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 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-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF ORMDL3, OXA1L, OGFRL1 TAAR1 875/4885PPARG 120/4885PPARA 122/4885

“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.