SCHEMBL18280685

SCHEMBL18280685

N#Cc1ncccc1S(=O)(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MBTD1 Q05BQ5 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
CCR1 P32246 1/20 0.44
HPGD P15428 1/20 0.44
TRPV4 Q9HBA0 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL20007281 0.77 TRPV4 (0.52) ALDH1A1TRPV4CYP2C19
SCHEMBL2956822 0.73 CCR1 (0.65) KDM4EGAAALDH1A1MBTD1L3MBTL3
SCHEMBL2963267 0.72 KDM4E (0.67) KDM4EGAAALDH1A1CCR1CYP2C19
SCHEMBL15232808 0.72 KDM4E (0.55) HSD11B1KDM4EGAAALDH1A1MEN1
SCHEMBL17007496 0.71 CYP2D6 (0.53) KDM4EALDH1A1MEN1KMT2ACCR1
SCHEMBL17007475 0.71 DHCR7 (0.50) ALDH1A1MEN1KMT2ACCR1HPGD
SCHEMBL17007472 0.70 MEN1 (0.71) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL2955805 0.70 ALDH1A1 (0.61) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL2955803 0.70 ALDH1A1 (0.61) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL2953452 0.69 ALDH1A1 (0.77) GAAALDH1A1MEN1KMT2AL3MBTL1

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-20160355514-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES VALO EARLY DISCOVERY, INC. 2016-12-08 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-20160355514-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES TPMT, TYMS, TYMP HSD11B1 3828/4885KDM4E 2902/4885GAA 1392/4885

“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.