SCHEMBL2869419

SCHEMBL2869419

Cc1ccc(C(C)N)cc1S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
ADRB2 P07550 1/20 0.36
SLC9A1 P19634 2/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
LMNA P02545 1/20 0.34
PDE2A O00408 1/20 0.34

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
SCHEMBL19574253 0.85 LMNA (0.50) L3MBTL1SLC9A1ALDH1A1HTTSMN1; SMN2
SCHEMBL1495500 0.80 ADRB2 (0.44) L3MBTL1ADRB2HTTP2RX3P2RX2
SCHEMBL13128971 0.73 ADRB2 (0.46) ADRB2ALDH1A1LMNAPDE2A
SCHEMBL3650358 0.73 ADRB2 (0.46) ADRB2ALDH1A1LMNAPDE2A
SCHEMBL13877347 0.73 ADRB2 (0.46) ADRB2ALDH1A1LMNAPDE2A
SCHEMBL1406184 0.72 L3MBTL1 (0.70) L3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL12545564 0.72 TRPA1 (0.52) ADRB2ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL19066296 0.71 CA2 (0.40) ADRB2ALDH1A1LMNA
SCHEMBL4555817 0.71 ADRB2 (0.34) L3MBTL1ADRB2
Hydrochloric Acid SCHEMBL4223637 0.71 ADRB2 (0.44) ADRB2ALDH1A1LMNAPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139334-B1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2013-07-03 EP disclosed
US-20120149700-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSTIONS AND USES THEREOF WEI ZHI-LIANG (US) 2012-06-14 US disclosed
US-8076345-B2 2-cyanophenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine compounds, compositions and uses thereof EVOTEC AG (DE) 2011-12-13 US disclosed
EP-2139334-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-01-06 EP disclosed
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2008-11-06 US disclosed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 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 (2 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-20120149700-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSTIONS AND USES THEREOF IL1B, IL1A, CRHR1 L3MBTL1 1367/4885ADRB2 693/4885SLC9A1 4014/4885
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof CNR2, CNR1, CBR1 L3MBTL1 1344/4885ADRB2 347/4885SLC9A1 4308/4885

“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.