SCHEMBL97931

SCHEMBL97931

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nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPP3CA Q08209 6/20 0.87
ABCB1 P08183 12/20 0.86
PPIA P62937 4/20 0.86
MEN1 O00255 1/20 0.86
NPC1 O15118 1/20 0.86
ABCC3 O15438 1/20 0.86
GMNN O75496 1/20 0.86
USP2 O75604 1/20 0.86
SLCO2B1 O94956 1/20 0.86
ABCB11 O95342 1/20 0.86
LMNA P02545 1/20 0.86
POLB P06746 1/20 0.86
CYP3A4 P08684 1/20 0.86
MAPT P10636 1/20 0.86
RARB P10826 1/20 0.86
CYP2C9 P11712 1/20 0.86
CYP3A5 P20815 1/20 0.86
TACR2 P21452 1/20 0.86
PPIB P23284 1/20 0.86
CYP3A7 P24462 1/20 0.86

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
SCHEMBL9929569 0.95 PPP3CA (0.87) PPP3CAABCB1PPIAMEN1NPC1
SCHEMBL9929568 0.95 PPP3CA (0.87) PPP3CAABCB1PPIAMEN1NPC1
SCHEMBL11957346 0.95 PPP3CA (0.87) PPP3CAABCB1PPIAMEN1NPC1
SCHEMBL11957320 0.95 PPP3CA (0.87) PPP3CAABCB1PPIAMEN1NPC1
SCHEMBL11978794 0.94 PPP3CA (0.86) PPP3CAABCB1PPIAMEN1NPC1
Cyclosporine SCHEMBL4454862 0.94 ABCB1 (0.96) PPP3CAABCB1PPIAMEN1NPC1
Cyclosporine SCHEMBL2973381 0.93 ABCB1 (0.95) PPP3CAABCB1PPIAMEN1NPC1
Cyclosporine SCHEMBL2973383 0.93 ABCB1 (0.95) PPP3CAABCB1PPIAMEN1NPC1
SCHEMBL11979272 0.93 PPP3CA (0.84) PPP3CAABCB1PPIAMEN1NPC1
Cyclosporine SCHEMBL24239446 0.93 ABCB1 (1.00) PPP3CAABCB1PPIAMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196749-A1 Cyclosporin Derivatives MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-08-02 US disclosed
US-20120058932-A1 ACTIVE INGREDIENT-PEPTIDE CONSTRUCT FOR EXTRACELLULAR CONCENTRATION MAX PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-03-08 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-20120196749-A1 Cyclosporin Derivatives TSLP, FKBP14, CHP1 PPP3CA 512/4885ABCB1 35/4885PPIA 59/4885
US-20120058932-A1 ACTIVE INGREDIENT-PEPTIDE CONSTRUCT FOR EXTRACELLULAR CONCENTRATION VIP, FIBP, MMP7 PPP3CA 4171/4885ABCB1 1204/4885PPIA 1604/4885

“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.