SCHEMBL22193215

SCHEMBL22193215

CC(=O)c1c(NC(=O)[C@@H](N)CC(=O)O)sc(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ AIP O00170 1/20 0.43
▸ SGTA O43765 1/20 0.43
▸ TOMM70 O94826 1/20 0.43
▸ STIP1 P31948 1/20 0.43
▸ PPP5C P53041 1/20 0.43
▸ FKBP4 Q02790 1/20 0.43
▸ PPID Q08752 1/20 0.43
▸ FKBP5 Q13451 1/20 0.43
▸ FKBP8 Q14318 1/20 0.43
▸ TOMM34 Q15785 1/20 0.43
▸ DNAJC7 Q99615 1/20 0.43
▸ AIPL1 Q9NZN9 1/20 0.43
▸ STUB1 Q9UNE7 1/20 0.43
▸ ALDH1A1 P00352 9/20 0.42
▸ MAPT P10636 8/20 0.42
▸ HPGD P15428 6/20 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
SCHEMBL19136021 0.81 ALDH1A1 (0.55) CYP1A2POLBCYP2C9CYP2C19ALDH1A1
SCHEMBL23728786 0.81 ALDH1A1 (0.55) CYP1A2POLBCYP2C9CYP2C19ALDH1A1
SCHEMBL15281425 0.81 ALDH1A1 (0.55) CYP1A2POLBCYP2C9CYP2C19ALDH1A1
SCHEMBL18551518 0.80 ALDH1A1 (0.52) CYP1A2POLBCYP2C9CYP2C19ALDH1A1
SCHEMBL20831849 0.79 CYP1A2 (0.38) CYP1A2POLBCYP2C9CYP2C19AIP
SCHEMBL20831148 0.74 SMN1; SMN2 (0.61) POLBAIPSGTATOMM70STIP1
SCHEMBL20831154 0.71 ABCC1 (0.42) CYP1A2POLBCYP2C9CYP2C19AIP
SCHEMBL22193209 0.69 ALDH1A1 (0.40) AIPSGTATOMM70STIP1PPP5C
SCHEMBL14191229 0.68 ALDH1A1 (0.47) CYP1A2POLBCYP2C9CYP2C19AIP
SCHEMBL31498681 0.68 ALDH1A1 (0.57) CYP1A2POLBCYP2C9CYP2C19ALDH1A1

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-20200216464-A1 NEW COMPOUND USEFUL IN THE MANUFACTURE OF MEDICAMENTS HOFFMANN-LA ROCHE INC. (US) 2020-07-09 — — 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-20200216464-A1 NEW COMPOUND USEFUL IN THE MANUFACTURE OF MEDICAMENTS DPM1, MRGPRX2, COXFA4L2 CYP1A2 379/4885POLB 3487/4885CYP2C9 1115/4885

“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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