SCHEMBL5524691

SCHEMBL5524691

CCOc1ccccc1Cc1nc(C(C)(C)C)sc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
P2RX3 P56373 1/20 0.41
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLA P06280 1/20 0.40
HTR7 P34969 1/20 0.38
CFTR P13569 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 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
SCHEMBL5522185 0.89 POLB (0.42) P2RX3LMNAPOLBTSHRTP53
SCHEMBL13494118 0.84 P2RX3 (0.46) GLSALDH1A1HPGDTDP1P2RX3
SCHEMBL5522175 0.84 SMN1; SMN2 (0.41) ALDH1A1HPGDP2RX3KDM4EMAPT
SCHEMBL5556251 0.83 L3MBTL1 (0.44) GLSALDH1A1HPGDTDP1P2RX3
SCHEMBL5527746 0.83 TSHR (0.41) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL5522126 0.81 PTGDR2 (0.38) GLSALDH1A1KDM4EMAPT
SCHEMBL5520108 0.81 POLB (0.39) ALDH1A1KDM4EMAPTNPSR1CFTR
SCHEMBL5527684 0.80 SMN1; SMN2 (0.43) ALDH1A1HPGDTDP1P2RX3KDM4E
SCHEMBL5527532 0.79 SMN1; SMN2 (0.48) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL5527563 0.76 RAB9A (0.43) ALDH1A1KDM4EMAPTLMNAPOLB

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 GLS 273/4885ALDH1A1 2042/4885HPGD 563/4885

“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.