SCHEMBL2562849

SCHEMBL2562849

N#Cc1cc(C(=O)O)ccc1OC(C(F)(F)F)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
XDH P47989 6/20 0.47
S1PR1 P21453 2/20 0.45
S1PR3 Q99500 1/20 0.45
S1PR5 Q9H228 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
TPMT P51580 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL2563033 0.87 S1PR1 (0.42) ALDH1A1HPGDXDHS1PR1S1PR3
SCHEMBL1794470 0.86 ALDH1A1 (0.52) ALDH1A1HPGDXDHS1PR1S1PR3
SCHEMBL24860710 0.84 ALDH1A1 (0.55) ALDH1A1HPGDXDHMRGPRX4LMNA
SCHEMBL30603423 0.81 XDH (0.67) ALDH1A1HPGDXDH
SCHEMBL403398 0.81 XDH (0.67) ALDH1A1HPGDXDH
SCHEMBL1919107 0.81 ALDH1A1 (0.55) ALDH1A1HPGDXDHMRGPRX4LMNA
SCHEMBL30629069 0.80 ALDH1A1 (0.54) ALDH1A1HPGDXDHS1PR1MRGPRX4
SCHEMBL26107798 0.80 ALDH1A1 (0.54) ALDH1A1HPGDXDHS1PR1MRGPRX4
Hydrochloric Acid SCHEMBL28477854 0.79 XDH (0.66) ALDH1A1HPGDXDHS1PR1S1PR3
SCHEMBL29472005 0.78 ALDH1A1 (0.59) ALDH1A1HPGDXDHMRGPRX4CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222668-B1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARM INC (US) 2011-11-02 EP disclosed
US-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-10-28 US disclosed
EP-2222668-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Arena Pharmaceuticals, Inc. (US) 2010-09-01 EP disclosed
WO-2009078983-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2009-06-25 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-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR3, S1PR2 ALDH1A1 592/4885HPGD 2985/4885XDH 3225/4885

“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.