SCHEMBL5528147

SCHEMBL5528147

CC(C)(C)c1cc(C(=O)O)nc(N2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 10/20 0.47
▸ POLB P06746 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ GPR55 Q9Y2T6 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMO O15229 1/20 0.46
▸ CFTR P13569 1/20 0.44
▸ PIK3R1 P27986 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5519910 0.87 RBP4 (0.43) LMNAHTTHSD17B10KDM4EALDH1A1
SCHEMBL5524235 0.86 ALDH1A1 (0.45) POLBLMNAHTTHSD17B10KDM4E
SCHEMBL5528861 0.85 ALDH1A1 (0.47) PIK3CAPOLBLMNAHTTHSD17B10
SCHEMBL3113600 0.81 KMT2A (0.60) PIK3CAPOLBLMNAHTTHSD17B10
SCHEMBL5525363 0.81 HRH4 (0.46) HSD17B10KDM4EALDH1A1NPSR1
SCHEMBL5527465 0.81 KDM4E (0.58) POLBHSD17B10KDM4EALDH1A1ATM
SCHEMBL3997510 0.81 POLB (0.52) PIK3CAPOLBLMNAHTTHSD17B10
SCHEMBL1271891 0.80 KMO (0.61) PIK3CAPOLBLMNAHTTHSD17B10
SCHEMBL13848187 0.78 PIK3CA (0.56) PIK3CAPOLBLMNAHTTHSD17B10
SCHEMBL1420176 0.78 RBP4 (0.42) HSD17B10KDM4EL3MBTL1NPSR1

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 PIK3CA 164/4885POLB 2/4885LMNA 3249/4885

“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.

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