SCHEMBL2564708

SCHEMBL2564708

COC(=O)c1cc(C#N)cc(OCC(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
LMNA P02545 3/20 0.45
KMT2A Q03164 3/20 0.45
PAX8 Q06710 2/20 0.45
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
S1PR2 O95136 1/20 0.43
S1PR4 O95977 1/20 0.43
GAA P10253 1/20 0.43
XBP1 P17861 1/20 0.43
S1PR3 Q99500 1/20 0.43
S1PR5 Q9H228 1/20 0.43
ALDH1A1 P00352 3/20 0.41
NOTUM Q6P988 1/20 0.41
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL10068542 0.87 NOTUM (0.49) MEN1LMNAKMT2APAX8MAPT
SCHEMBL2566899 0.84 MRGPRX4 (0.50) MEN1LMNAKMT2APAX8MAPT
SCHEMBL3578072 0.84 MEN1 (0.58) MEN1LMNAKMT2APAX8MAPT
SCHEMBL2566423 0.83 MAPT (0.49) LMNAMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL1867301 0.82 MRGPRX4 (0.46) LMNAMAPTGAAALDH1A1NOTUM
SCHEMBL731189 0.82 MAPT (0.47) MEN1LMNAKMT2AMAPTALDH1A1
SCHEMBL5222156 0.81 MAPT (0.50) KMT2AMAPTGAAALDH1A1RAB9A
SCHEMBL38560 0.81 MAPT (0.54) LMNAMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL10068550 0.81 MEN1 (0.46) MEN1LMNAKMT2APAX8MAPT
SCHEMBL16727035 0.81 NOTUM (0.44) MEN1LMNAKMT2APAX8MAPT

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 MEN1 1568/4885LMNA 4018/4885KMT2A 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.