SCHEMBL5528079

SCHEMBL5528079

CCOC(=O)c1sc(C(C)(C)C)nc1C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
HSD17B10 Q99714 4/20 0.56
TSHR P16473 3/20 0.56
HTT P42858 2/20 0.56
GAA P10253 2/20 0.56
DHODH Q02127 3/20 0.47
HPGD P15428 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL11157805 0.82 ALDH1A1 (0.57) ALDH1A1HSD17B10TSHRHTTGAA
SCHEMBL5520016 0.81 L3MBTL1 (0.44) ALDH1A1HSD17B10TSHRHTTGAA
SCHEMBL5527584 0.79 L3MBTL1 (0.45) ALDH1A1HSD17B10TSHRHTTGAA
SCHEMBL5520454 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRHTTGAA
SCHEMBL5525320 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10TSHRHTTGAA
SCHEMBL2887460 0.76 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRDHODHHPGD
SCHEMBL22577171 0.75 ALDH1A1 (0.60) ALDH1A1HSD17B10TSHRHTTGAA
SCHEMBL3454855 0.74 ALDH1A1 (0.61) ALDH1A1HSD17B10TSHRHTTGAA
SCHEMBL3454516 0.74 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRHTTGAA
SCHEMBL5525822 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10HTTGAADHODH

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 2 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
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 US 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 2042/4885HSD17B10 1793/4885TSHR 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.