SCHEMBL20408741

SCHEMBL20408741

COC(=O)C(C)C(C)CC#N

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP7 P55210 1/20 0.34
CA14 Q9ULX7 2/20 0.33
CA12 O43570 1/20 0.31
MCL1 Q07820 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ANPEP P15144 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
SCHEMBL17634052 0.83 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1TSHRMAPK1CASP7
SCHEMBL17638810 0.83 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1TSHRMAPK1CASP7
SCHEMBL17634041 0.83 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1TSHRMAPK1CASP7
SCHEMBL6830271 0.78
SCHEMBL24250131 0.76 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1TSHRMAPK1CASP7
SCHEMBL19300028 0.74 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL19300209 0.74 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL19300027 0.74 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL8223673 0.73 CA1 (0.43) SMN1; SMN2ALDH1A1CA14CA12CA1
SCHEMBL15041053 0.73 CA1 (0.43) SMN1; SMN2ALDH1A1CA14CA12CA1

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-20180207153-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2018-07-26 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-20180207153-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF FPR1, FPR2, SAAL1 SMN1; SMN2 623/4885ALDH1A1 2705/4885TSHR 2622/4885

“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.