SCHEMBL3749547

SCHEMBL3749547

CS(=O)(=O)N1CCCC(CCCl)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.40
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
POLB P06746 1/20 0.37
CYP2C19 P33261 2/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.35
FABP6 P51161 1/20 0.35
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL4512108 0.84 GAA (0.43) ALDH1A1TSHRATMMAPK1GAA
SCHEMBL11980472 0.83 ALDH1A1 (0.42) ALDH1A1TSHRATMMAPK1GAA
SCHEMBL12768 0.80 GAA (0.46) ALDH1A1TSHRATMMAPK1GAA
SCHEMBL13186413 0.80 GAA (0.46) ALDH1A1TSHRATMMAPK1GAA
SCHEMBL13198913 0.80 GAA (0.46) ALDH1A1TSHRATMMAPK1GAA
SCHEMBL9917295 0.80 ALDH1A1 (0.43) ALDH1A1TSHRATMMAPK1GAA
SCHEMBL28364104 0.79 CYP2C19 (0.54) ALDH1A1TSHRATMMAPK1GAA
SCHEMBL954911 0.79 TSHR (0.44) ALDH1A1TSHRATMMAPK1GAA
SCHEMBL772100 0.79 TSHR (0.44) ALDH1A1TSHRATMMAPK1GAA
SCHEMBL3756317 0.78 ALDH1A1 (0.46) ALDH1A1TSHRATMFABP6NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 WO 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-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR ALDH1A1 515/4885TSHR 4696/4885ATM 1816/4885

“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.