SCHEMBL16508792

SCHEMBL16508792

CCCNS(=O)(=O)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
CA1 P00915 1/20 0.41
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
NPY5R Q15761 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
SCHEMBL5710189 0.89 HTT (0.46) CA12CA7CA14SMN1; SMN2CA1
SCHEMBL8281581 0.84 CA12 (0.48) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL16508745 0.82 CA1 (0.46) CA1TSHRPOLBALDH1A1
SCHEMBL15925135 0.80 CA12 (0.41) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL10281482 0.78 CA1 (0.43) SMN1; SMN2CA1TSHRL3MBTL1POLB
SCHEMBL17327625 0.75 TDP1 (0.38) CA12CA7CA14L3MBTL1POLB
SCHEMBL25596648 0.74 CA1 (0.39) CA1
SCHEMBL1446073 0.73 CA12 (0.54) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL7602303 0.72 CA12 (0.59) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL12449175 0.72 POLB (0.35) CA12CA7CA14SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-09 US disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 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 (2 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-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, LCK CA12 4584/4885CA7 3690/4885CA14 4315/4885
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA CA12 4184/4885CA7 3912/4885CA14 4377/4885

“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.