SCHEMBL2566899

SCHEMBL2566899

N#Cc1cc(OCC(F)(F)F)cc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.50
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PAX8 Q06710 2/20 0.46
S1PR2 O95136 1/20 0.46
S1PR4 O95977 1/20 0.46
GAA P10253 1/20 0.46
XBP1 P17861 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
PLA2G2A P14555 1/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
SYK P43405 2/20 0.39
NR4A2 P43354 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
SCHEMBL977465 0.89 MAPT (0.55) MRGPRX4MEN1KMT2AMAPTLMNA
SCHEMBL27893393 0.85 L3MBTL1 (0.51) MRGPRX4MEN1KMT2AMAPTLMNA
SCHEMBL2564708 0.84 MEN1 (0.45) MRGPRX4MEN1KMT2AMAPTLMNA
SCHEMBL14812142 0.81 MEN1 (0.48) MRGPRX4MEN1KMT2AMAPTLMNA
SCHEMBL2564838 0.81 PLA2G2A (0.51) MRGPRX4MEN1KMT2AMAPTPLA2G2A
SCHEMBL932954 0.80 AURKA (0.47) MRGPRX4S1PR4S1PR5PLA2G2A
SCHEMBL29434530 0.80 MRGPRX4 (0.47) MRGPRX4MEN1KMT2AMAPTLMNA
SCHEMBL22530375 0.80 MRGPRX4 (0.47) MRGPRX4MEN1KMT2AMAPTLMNA
SCHEMBL2564264 0.80 PLA2G2A (0.57) MRGPRX4MEN1KMT2AMAPTLMNA
SCHEMBL2277550 0.78 L3MBTL1 (0.45) MRGPRX4MEN1KMT2AMAPTLMNA

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 MRGPRX4 876/4885MEN1 1568/4885KMT2A 3974/4885

“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.