SCHEMBL5519955

SCHEMBL5519955

COC(=O)c1ccccc1Cc1nc(C(C)(C)C)sc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
HIF1A Q16665 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPK8 P45983 2/20 0.37
MAPK9 P45984 2/20 0.37
MAPK10 P53779 2/20 0.37
KMT2A Q03164 2/20 0.37
ADCY10 Q96PN6 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 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
SCHEMBL5527746 0.89 TSHR (0.41) ALDH1A1LMNAHIF1AKMT2AHTT
SCHEMBL5520451 0.89 ALDH1A1 (0.40) ALDH1A1LMNAHIF1AL3MBTL1MAPK8
SCHEMBL13494034 0.84 ALDH1A1 (0.44) ALDH1A1LMNAHIF1AKMT2AADCY10
SCHEMBL5522185 0.83 POLB (0.42) LMNAKMT2APOLBTSHR
SCHEMBL5522468 0.83 CYP2C9 (0.37) ALDH1A1LMNAHIF1AKMT2AHTT
SCHEMBL5522175 0.83 SMN1; SMN2 (0.41) ALDH1A1LMNAKMT2AHTTKDM4E
SCHEMBL5556728 0.82 ALDH1A1 (0.42) ALDH1A1LMNAHIF1AL3MBTL1KMT2A
SCHEMBL5520108 0.81 POLB (0.39) ALDH1A1KMT2AKDM4ENPSR1POLB
SCHEMBL5522126 0.81 PTGDR2 (0.38) ALDH1A1MAPK8KMT2APTGDR2HTT
SCHEMBL5524691 0.80 GLS (0.41) ALDH1A1LMNAL3MBTL1KDM4ENPSR1

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 1 patent. 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

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 2042/4885LMNA 3249/4885HIF1A 1442/4885

“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.