SCHEMBL1031499

SCHEMBL1031499

Cc1cn(Cc2ccc(C(F)(F)F)cc2)c(C(=O)N2CCSCC2)c1-c1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.39
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
DPP4 P27487 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TSHR P16473 3/20 0.36
USP2 O75604 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
LYPLA1 O75608 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 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
SCHEMBL1030813 0.90 TSHR (0.46) SMN1; SMN2SIGMAR1ALDH1A1TSHRUSP2
SCHEMBL1028757 0.87 KLK7 (0.41) SMN1; SMN2HPGDADORA2AADORA1SIGMAR1
SCHEMBL1032310 0.83 ADORA2A (0.42) SMN1; SMN2ADORA2AADORA1ALDH1A1TSHR
SCHEMBL1028034 0.83 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TSHRUSP2CYP2D6
SCHEMBL1030973 0.80 MEN1 (0.47) SMN1; SMN2ALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL1749331 0.79 MEN1 (0.46) SMN1; SMN2HPGDALDH1A1TSHRUSP2
SCHEMBL1032145 0.77 EPHX2 (0.45) EPHX2
SCHEMBL1032776 0.76 KMT2A (0.45) HPGDALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL1027735 0.76 ALDH1A1 (0.53) HPGDALDH1A1TSHRLMNAMAPT
SCHEMBL1029856 0.76 HTT (0.46) SMN1; SMN2HPGDADORA2AADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US claimed
EP-2035375-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2009-03-18 EP claimed
WO-2007141039-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-13 WO claimed
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US disclosed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP disclosed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US disclosed
EP-2035375-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2009-03-18 EP disclosed
WO-2007141039-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-13 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-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 SMN1; SMN2 2916/4885HPGD 936/4885ADORA2A 218/4885

“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.