SCHEMBL15401045

SCHEMBL15401045

O=[SH](=O)Nn1cnc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
TNF P01375 1/20 0.43
HTT P42858 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.42
FDPS P14324 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
GGPS1 O95749 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL15022038 0.78 TDP1 (0.52) TDP1ALOX15HSD17B10KDM4ENPC1
SCHEMBL1800353 0.75 TDP1 (0.48) TDP1ALOX15HSD17B10KDM4ENPC1
SCHEMBL1488096 0.75 TDP1 (0.48) TDP1ALOX15HSD17B10CYP11B1CYP11B2
SCHEMBL5458671 0.74 HSD17B10 (0.47) TDP1ALOX15HSD17B10KDM4ENPC1
SCHEMBL204727 0.73 ALOX15 (0.64) ALOX15HSD17B10KDM4ENPC1HTT
SCHEMBL239691 0.72 HTT (0.48) TDP1ALOX15HSD17B10CYP11B1CYP11B2
SCHEMBL4258614 0.71 ALDH1A1 (0.46) TDP1ALOX15HSD17B10KDM4EHTT
SCHEMBL707209 0.71 ALOX15 (0.58) TDP1ALOX15HSD17B10KDM4ENPC1
SCHEMBL6954737 0.71 ALOX15 (0.58) ALOX15HSD17B10KDM4ENPC1CYP1A2
SCHEMBL28349699 0.71 TDP1 (0.53) TDP1KDM4ENPC1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2896613-B1 SULFONAMIDE COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2018-03-21 EP disclosed
US-9540360-B2 Sulfonamide compounds having TRPM8 antagonistic activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-10 US disclosed
US-9487488-B2 Sulfonamide compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-11-08 US disclosed
EP-2686302-B1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY MITSUBISHI TANABE PHARMA CORP (JP) 2016-08-10 EP disclosed
US-20150307454-A1 Sulfonamide Compound KALLYOPE, INC. 2015-10-29 US disclosed
US-20150218143-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-06 US disclosed
EP-2896613-A1 SULFONAMIDE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2015-07-22 EP disclosed
US-8987445-B2 Sulfonamide compounds having TRPM8 antagonistic activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-03-24 US disclosed
US-20140005393-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY KALLYOPE, INC. 2014-01-02 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 (3 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-20150218143-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY TRPM8, TRPM7, TRPM2 TDP1 4553/4885ALOX15 4635/4885HSD17B10 4269/4885
US-20140005393-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY TRPM8, TRPM7, TRPM2 TDP1 4566/4885ALOX15 4684/4885HSD17B10 4247/4885
US-20150307454-A1 Sulfonamide Compound TRPM8, TRPM5, TRPM7 TDP1 4632/4885ALOX15 4574/4885HSD17B10 4682/4885

“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.