SCHEMBL12570689

SCHEMBL12570689

CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Sc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CASP3 P42574 2/20 0.43
▸ SLC17A5 Q9NRA2 1/20 0.42
▸ TNF P01375 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MDM2 Q00987 3/20 0.41

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
SCHEMBL31000556 0.89 MDM4 (0.46) MDM4TP53CASP3SLC17A5KMT2A
SCHEMBL19899314 0.88 MDM4 (0.55) MDM4TP53CASP3SLC17A5TNF
SCHEMBL29401864 0.88 MDM4 (0.55) MDM4TP53CASP3SLC17A5TNF
SCHEMBL30191422 0.88 MDM4 (0.55) MDM4TP53CASP3SLC17A5TNF
SCHEMBL31165326 0.88 MDM4 (0.55) MDM4TP53CASP3SLC17A5TNF
SCHEMBL31000735 0.88 MDM4 (0.55) MDM4TP53CASP3SLC17A5TNF
SCHEMBL13611972 0.88 MDM4 (0.55) MDM4TP53CASP3SLC17A5TNF
SCHEMBL31037709 0.86 MDM4 (0.49) MDM4TP53CASP3SLC17A5TNF
SCHEMBL31041158 0.83 MDM4 (0.47) MDM4TP53CASP3KMT2A
SCHEMBL31000709 0.81 CASP3 (0.51) MDM4TP53CASP3KMT2A

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-7960589-B2 Synthesis of sphingosines and their derivatives EMORY UNIVERSITY (US) 2011-06-14 — — US disclosed
US-20100197954-A1 SYNTHESIS OF SPHINGOSINES AND THEIR DERIVATIVES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-05 — — 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-20100197954-A1 SYNTHESIS OF SPHINGOSINES AND THEIR DERIVATIVES SPHK1, SPHK2, S1PR2 MDM4 4741/4885TP53 4169/4885CASP3 1390/4885

“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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