SCHEMBL3048645

SCHEMBL3048645

CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)CC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.55
CTSS P25774 4/20 0.54
CTSL P07711 2/20 0.54
CTSB P07858 2/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 1/20 0.52
CTSK P43235 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
CA2 P00918 2/20 0.47
PPARA Q07869 1/20 0.47
CASP3 P42574 2/20 0.46
CTSD P07339 1/20 0.44

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
SCHEMBL31107837 1.00 SYK (0.55) SYKCTSSCTSLCTSBKMT2A
SCHEMBL25721690 0.91 CTSL (0.59) SYKCTSSCTSLCTSBKMT2A
SCHEMBL5311477 0.90 SYK (0.52) SYKCTSSCTSLCTSBCTSK
SCHEMBL24390653 0.88 CYP3A4 (0.59) SYKCTSSCTSLCTSBKMT2A
SCHEMBL12214475 0.88 CYP3A4 (0.59) SYKCTSSCTSLCTSBKMT2A
SCHEMBL29472197 0.87 CTSS (0.63) SYKCTSSCTSLCTSBKMT2A
SCHEMBL31107900 0.84 SYK (0.54) SYKCTSSCTSLCTSBCTSK
SCHEMBL10448499 0.84 CTSS (0.60) SYKCTSSCTSLCTSBKMT2A
SCHEMBL31107891 0.83 SYK (0.54) SYKCTSSCTSLCTSBKMT2A
SCHEMBL11597946 0.82 CTSS (0.53) SYKCTSSCTSLCTSBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678765-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2010-03-16 US disclosed
US-7678765-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2010-03-16 US disclosed
US-7348310-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2008-03-25 US disclosed
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A., A SPAIN CORPORATION 2008-01-10 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-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them MCL1, APLNR, PAICS SYK 4529/4885CTSS 3273/4885CTSL 1727/4885

“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.