SCHEMBL9976371

SCHEMBL9976371

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nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 12/20 0.54
PPIA P62937 5/20 0.53
PPP3CA Q08209 4/20 0.51
FKBP1B P68106 2/20 0.51
PPIB P23284 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
ABCC3 O15438 1/20 0.51
GMNN O75496 1/20 0.51
USP2 O75604 1/20 0.51
SLCO2B1 O94956 1/20 0.51
ABCB11 O95342 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
RARB P10826 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP3A5 P20815 1/20 0.51
TACR2 P21452 1/20 0.51

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
SCHEMBL9976369 0.94 ABCB1 (0.52) ABCB1PPIAPPP3CAFKBP1BPPIB
SCHEMBL9976359 0.86 FKBP1B (0.46) ABCB1PPIAPPP3CAFKBP1BPPIB
SCHEMBL9976361 0.86 FKBP1B (0.53) ABCB1PPIAPPP3CAFKBP1BPPIB
SCHEMBL9976372 0.84 ABCB1 (0.43) ABCB1PPIAPPP3CAFKBP1BPPIB
SCHEMBL9976367 0.82 PPP3CA (0.52) ABCB1PPIAPPP3CAFKBP1BPPIB
SCHEMBL9976360 0.80 FKBP1B (0.47) ABCB1PPIAPPP3CAFKBP1BPPIB
SCHEMBL9979536 0.80 ABCB1 (0.80) ABCB1PPIAPPP3CAFKBP1BPPIB
SCHEMBL21582623 0.80 ABCB1 (0.80) ABCB1PPIAPPP3CAFKBP1BPPIB
SCHEMBL19680002 0.80 ABCB1 (0.80) ABCB1PPIAPPP3CAFKBP1BPPIB
SCHEMBL9976355 0.80 FKBP1B (0.47) ABCB1PPIAPPP3CAFKBP1BPPIB

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-20140357569-A1 CYCLOSPORIN CONJUGATES UCL BUSINESS PLC (GB) 2014-12-04 US disclosed
US-20120157385-A1 CYCLOSPORIN CONJUGATES UCL BUSINESS PLC (GB) 2012-06-21 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-20120157385-A1 CYCLOSPORIN CONJUGATES CYP11B1, SHMT2, MRM1 ABCB1 70/4885PPIA 812/4885PPP3CA 967/4885
US-20140357569-A1 CYCLOSPORIN CONJUGATES CYP11B1, SHMT2, MRM1 ABCB1 68/4885PPIA 855/4885PPP3CA 1007/4885

“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.