SCHEMBL5710189

SCHEMBL5710189

CCCCNS(=O)(=O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 2/20 0.45
CA7 P43166 2/20 0.45
CA14 Q9ULX7 2/20 0.45
NPY5R Q15761 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL16508792 0.89 CA12 (0.45) HTTCA1CA12CA7CA14
SCHEMBL28869534 0.83 CA1 (0.50) CA1CA2CA12CA7CA14
SCHEMBL21361488 0.81 ALDH1A1 (0.49) CA1CA2CA12CA7CA14
SCHEMBL8281581 0.81 CA12 (0.48) HTTCA12CA7CA14ALDH1A1
SCHEMBL5889230 0.80 CA1 (0.47) CA1CA2CA12CA7CA14
SCHEMBL15925135 0.77 CA12 (0.41) HTTCA12CA7CA14NPY5R
SCHEMBL2029967 0.76 PPARA (0.46) CA1CA2CA12CA7CA14
SCHEMBL2361421 0.74 GNAI3 (0.49) CA1CA2CA12CA7CA14
SCHEMBL24667126 0.73 HTT (0.45) HTTALDH1A1POLB
SCHEMBL20988344 0.73 CNR2 (0.42) HTTCA12CA7CA14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 EP claimed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 WO claimed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 US disclosed
US-7060817-B2 Sulfonamide anions as catalysts for NCO oligomerization BAYER MATERIALSCIENCE AG (DE) 2006-06-13 US disclosed
US-20050033005-A1 Sulfonamide anions as catalysts for NCO oligomerization BAYER MATERIALSCIENCE AG (DE) 2005-02-10 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-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA HTT 1521/4885CA1 4774/4885CA2 3286/4885

“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.