SCHEMBL14283166

SCHEMBL14283166

CC(C)C[C@H](C(=O)OCc1ccccc1)N1C(=O)[C@@]2(CCCN2)CC1O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.40
CTSK P43235 15/20 0.39
CTSL P07711 8/20 0.38
CTSS P25774 7/20 0.38
CTSB P07858 3/20 0.38
CASP1 P29466 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37

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
SCHEMBL3042987 0.83 ADAM17 (0.38) AVPR1ACTSKCTSLCTSSCTSB
SCHEMBL3046320 0.75 GRIN2B (0.42) AVPR1ACTSKCTSLCTSS
SCHEMBL4604125 0.75 GRIN2B (0.42) AVPR1ACTSKCTSLCTSS
SCHEMBL19627463 0.72 ALDH1A1 (0.36)
SCHEMBL17712401 0.72 ALDH1A1 (0.36)
SCHEMBL19627475 0.72 ALDH1A1 (0.36)
SCHEMBL19614443 0.67 KMT2A (0.36)
SCHEMBL19614445 0.67 KMT2A (0.36)
SCHEMBL19614440 0.67 KMT2A (0.36)
SCHEMBL3054791 0.67 NTSR1 (0.40)

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-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
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 AVPR1A 3028/4885CTSK 3079/4885CTSL 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.