SCHEMBL20987705

SCHEMBL20987705

CC(C)(I)Cn1sc2ccccc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 7/20 0.63
FAAH O00519 2/20 0.54
MGLL Q99685 2/20 0.54
G6PD P11413 1/20 0.50
PMM2 O15305 1/20 0.50
MPI P34949 1/20 0.50
PHOSPHO1 Q8TCT1 1/20 0.50

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
SCHEMBL9004530 0.87 CASP3 (0.67) CASP3FAAHMGLLG6PDPMM2
SCHEMBL29678965 0.78 CASP3 (1.00) CASP3FAAHMGLLG6PD
SCHEMBL3143600 0.78 CASP3 (1.00) CASP3FAAHMGLLG6PD
SCHEMBL16071405 0.78 CASP3 (0.68) CASP3FAAHMGLL
SCHEMBL11278746 0.77 CASP3 (0.74) CASP3FAAHMGLLG6PD
SCHEMBL17948304 0.77 CASP3 (0.72) CASP3FAAHMGLL
SCHEMBL20937506 0.75 CASP3 (0.59) CASP3G6PD
SCHEMBL358740 0.75 FAAH (0.77) CASP3FAAHMGLLG6PD
SCHEMBL24836231 0.74 FAAH (0.81) CASP3FAAHMGLLG6PD
SCHEMBL2963555 0.74 CASP3 (0.68) CASP3FAAHMGLLG6PD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 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-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 CASP3 3813/4885FAAH 2247/4885MGLL 1358/4885

“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.