SCHEMBL7101162

SCHEMBL7101162

CCS(=O)(=O)N(C)C1CCN(c2ccncc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.47
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
LSS P48449 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHKA P35790 1/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
CYP3A4 P08684 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
ADRB2 P07550 1/20 0.39
NCF1 P14598 1/20 0.39
PLD1 Q13393 1/20 0.39

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
SCHEMBL7013414 0.81 F10 (0.43) F10LSSCYP1A2CYP2D6TSHR
SCHEMBL2362576 0.78 CHKA (0.53) F10CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL7015003 0.74 F10 (0.56) F10
SCHEMBL785159 0.74 F10 (0.51) F10LSSTSHRCHKAITGB3
SCHEMBL28179874 0.72 CYP2C19 (0.53) F10LSSCYP1A2CYP2D6TSHR
SCHEMBL21101188 0.72 CHKA (0.50) F10LSSCHKAITGB3ITGA2B
SCHEMBL28179029 0.72 CYP2C19 (0.49) LSSCYP1A2CYP2D6TSHRCYP2C19
SCHEMBL5803729 0.72 CHKA (0.53) F10CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL2743214 0.71 HTR2A (0.55) HTR2AHTR2C
SCHEMBL28179053 0.71 CHKA (0.48) F10CYP1A2CYP2D6TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH F10 717/4885JAK2 272/4885JAK3 1902/4885

“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.