SCHEMBL280633

SCHEMBL280633

CC[C@@H](C=O)NC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ HPGD P15428 1/20 0.51
▸ CAPN1 P07384 2/20 0.51
▸ CTSS P25774 4/20 0.51
▸ PRSS1 P07477 2/20 0.50
▸ CTSG P08311 2/20 0.50
▸ CTRB1 P17538 2/20 0.50
▸ CMA1 P23946 2/20 0.50
▸ CTSK P43235 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CNR2 P34972 1/20 0.47

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
SCHEMBL27656629 0.87 RAB9A (0.54) ALDH1A1RAB9AHPGDCAPN1PRSS1
SCHEMBL29289513 0.85 ALDH1A1 (0.54) ALDH1A1RAB9AHPGDPRSS1CTSG
SCHEMBL7471559 0.83 CAPN1 (0.54) ALDH1A1RAB9AHPGDCAPN1CTSS
SCHEMBL13570313 0.83 CTRB1 (0.55) ALDH1A1RAB9AHPGDCAPN1CTRB1
SCHEMBL10277099 0.83 CASP3 (0.57) HPGDCAPN1
SCHEMBL7378642 0.81 CAPN1 (0.74) HPGDCAPN1CTRB1
SCHEMBL40781 0.81 CAPN1 (0.74) HPGDCAPN1CTRB1
SCHEMBL8676349 0.80 CAPN1 (0.52) ALDH1A1RAB9AHPGDCAPN1CTRB1
SCHEMBL13776441 0.80 CAPN1 (0.49) ALDH1A1RAB9AHPGDCAPN1CTRB1
SCHEMBL8676342 0.80 CAPN1 (0.52) ALDH1A1RAB9AHPGDCAPN1CTRB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 — — US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 — — US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 — — 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 (2 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 ALDH1A1 1934/4885RAB9A 1372/4885HPGD 1265/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 ALDH1A1 2376/4885RAB9A 1250/4885HPGD 1450/4885

“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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