SCHEMBL16293241

SCHEMBL16293241

COC(=O)NC(C1CC1)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 3/20 0.30
CA2 P00918 3/20 0.30
CA12 O43570 2/20 0.30
MMP2 P08253 2/20 0.30
CA9 Q16790 2/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL22361405 1.00 CTSS (0.31) CTSSCTSKSMN1; SMN2CA1CA2
SCHEMBL15113564 1.00 CTSS (0.31) CTSSCTSKSMN1; SMN2CA1CA2
SCHEMBL14930632 0.88 AAK1 (0.35)
SCHEMBL18782863 0.88 AAK1 (0.35)
SCHEMBL22361562 0.82 ACACB (0.31) CTSSCTSK
SCHEMBL25583355 0.78 ALDH1A1 (0.36)
SCHEMBL2018782 0.77 MMP1 (0.32)
SCHEMBL19364543 0.74 CTSK (0.33) CTSSCTSKCA1CA2
SCHEMBL18782864 0.73 EPHX1 (0.38) CTSSCTSK
SCHEMBL8907612 0.73 AAK1 (0.38)

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-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20140371217-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-12-18 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-20140371217-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS MUSK, DMPK, PNCK CTSS 3740/4885CTSK 727/4885SMN1; SMN2 2317/4885

“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.