SCHEMBL5520198

SCHEMBL5520198

COc1cccc(Cc2nc(C(C)(C)C)sc2C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
CTBP2 P56545 1/20 0.44
LTB4R Q15722 1/20 0.44
CSNK1D P48730 1/20 0.43
ROCK1 Q13464 2/20 0.43
PRKACA P17612 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
P2RX3 P56373 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
MAOB P27338 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL5520493 0.86 ALDH1A1 (0.46) RXFP1TP53ALDH1A1RAB9AMAPT
SCHEMBL5528442 0.85 NR1H4 (0.43) RXFP1TP53ROCK1RAB9A
SCHEMBL5527532 0.85 SMN1; SMN2 (0.48) POLBALDH1A1RAB9AMAPT
SCHEMBL5521998 0.84 HCAR2 (0.46) ALDH1A1RAB9AMAPTGPR52
SCHEMBL5522180 0.84 HCAR2 (0.46) ALDH1A1RAB9A
SCHEMBL5528335 0.83 SMN1; SMN2 (0.42) RAB9ACYP1A2
SCHEMBL5528655 0.82 ALDH1A1 (0.53) CSNK1DALDH1A1RAB9ACYP1A2MAPT
SCHEMBL10265853 0.82 GPR52 (0.47) RXFP1TP53POLBCTBP2LTB4R
SCHEMBL5527759 0.81 DHFR (0.48) ALDH1A1
SCHEMBL5520170 0.81 KMT2A (0.46) POLBRAB9A

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 RXFP1 4640/4885TP53 1688/4885POLB 2/4885

“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.