SCHEMBL1553437

SCHEMBL1553437

CCOC(=O)C(C#N)=C(C)c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.44
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
GABRB2 P47870 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
CRHBP P24387 1/20 0.43
RAB9A P51151 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASP1 P29466 1/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 2/20 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
SCHEMBL1553436 1.00 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2MEN1
SCHEMBL1554601 0.89 GPR35 (0.42) GABRA1GABRG2GABRB3GABRB2MEN1
SCHEMBL1554603 0.89 GPR35 (0.42) GABRA1GABRG2GABRB3GABRB2MEN1
SCHEMBL1553941 0.86 GAA (0.47) MEN1KMT2AMAPTLMNAUSP2
SCHEMBL1553942 0.86 GAA (0.47) MEN1KMT2AMAPTLMNAUSP2
SCHEMBL1554328 0.82 SMN1; SMN2 (0.52) MEN1KMT2AMAPTLMNAUSP2
SCHEMBL1554326 0.82 SMN1; SMN2 (0.52) MEN1KMT2AMAPTLMNAUSP2
SCHEMBL18591425 0.81 TSHR (0.49) MEN1KMT2AMAPTLMNAUSP2
SCHEMBL18555139 0.81 TSHR (0.49) MEN1KMT2AMAPTLMNAUSP2
SCHEMBL18591424 0.81 TSHR (0.49) MEN1KMT2AMAPTLMNAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383463-B1 FUSED THIOPHENE COMPOUNDS AND USE THEREOF IN THE TREATMENT OF CHRONIC PAIN KING PHARMACEUTICALS INC (US) 2011-04-27 EP disclosed
EP-1383463-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
US-7449490-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-11-11 US disclosed
US-7101905-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2006-09-05 US disclosed
US-20060183921-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-08-17 US disclosed
EP-1383463-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE King Pharmaceuticals, Inc. (US) 2004-01-28 EP disclosed
US-20030073733-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-04-17 US disclosed
WO-2002083083-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS, INC. (US) 2002-10-24 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 (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-20060183921-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE GABRA1 872/4885GABRG2 722/4885GABRB3 256/4885
US-20030073733-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE GABRA1 872/4885GABRG2 722/4885GABRB3 256/4885

“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.