SCHEMBL1919240

SCHEMBL1919240

CCCCCc1nc(Br)sc1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.44
HPGD P15428 2/20 0.43
CDC7 O00311 4/20 0.41
DBF4 Q9UBU7 4/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
DHODH Q02127 1/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CYP2C9 P11712 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
AKT1 P31749 1/20 0.39
IRS1 P35568 1/20 0.39
GAB1 Q13480 1/20 0.39

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
SCHEMBL2823911 0.95 ALDH1A1 (0.48) ALDH1A1CYP1A2TSHRHPGDCDC7
SCHEMBL2692004 0.89 ALDH1A1 (0.50) ALDH1A1CYP1A2TSHRHPGDCDC7
SCHEMBL4809982 0.87 ALDH1A1 (0.48) ALDH1A1CYP1A2TSHRHPGDCDC7
SCHEMBL1921091 0.83 ALDH1A1 (0.49) ALDH1A1CYP1A2HPGDCDC7DBF4
SCHEMBL23214292 0.83 LMNA (0.49) ALDH1A1CYP1A2HPGDCDC7DBF4
SCHEMBL30740576 0.82 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRHPGDCDC7
SCHEMBL9642982 0.81 GPR35 (0.48) ALDH1A1
SCHEMBL2885576 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2TSHRHPGDCDC7
SCHEMBL2823884 0.81 ALDH1A1 (0.63) ALDH1A1CYP1A2TSHRHPGDCDC7
SCHEMBL2694807 0.80 CDC7 (0.54) CDC7DBF4KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 US disclosed
EP-2326640-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2011-06-01 EP disclosed
WO-2010013222-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2010-02-04 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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 ALDH1A1 2042/4885CYP1A2 1304/4885TSHR 3395/4885

“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.