SCHEMBL5525822

SCHEMBL5525822

CCOC(=O)c1sc(C(C)(C)C)nc1CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
HPGD P15428 3/20 0.52
CYP1A2 P05177 1/20 0.45
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
DHODH Q02127 1/20 0.41
CDC7 O00311 3/20 0.40
DBF4 Q9UBU7 3/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
MC4R P32245 1/20 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
SCHEMBL5520453 0.90 ALDH1A1 (0.49) ALDH1A1HPGDCYP1A2GAAKMT2A
SCHEMBL2887319 0.88 ALDH1A1 (0.50) ALDH1A1HPGDCYP1A2GAAKMT2A
SCHEMBL2887460 0.84 ALDH1A1 (0.55) ALDH1A1HPGDCYP1A2KMT2AHSD17B10
SCHEMBL5520454 0.81 ALDH1A1 (0.44) ALDH1A1HPGDCYP1A2GAAKMT2A
SCHEMBL5527718 0.80 SMN1; SMN2 (0.36) ALDH1A1HPGDCYP1A2KMT2ASMN1; SMN2
SCHEMBL5525320 0.80 ALDH1A1 (0.46) ALDH1A1HPGDCYP1A2GAAKMT2A
SCHEMBL5528018 0.79 PTPN11 (0.52) ALDH1A1HPGDGAAHSD17B10LMNA
SCHEMBL1921091 0.79 ALDH1A1 (0.49) ALDH1A1HPGDCYP1A2GAAKMT2A
SCHEMBL5520493 0.78 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10LMNANPC1
SCHEMBL5527731 0.78 CDC7 (0.47) ALDH1A1HPGDGAAKMT2ALMNA

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 2042/4885HPGD 563/4885CYP1A2 1304/4885

“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.