SCHEMBL7017109

SCHEMBL7017109

CN(C)C(=S)Oc1ccc2occc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.45
CA12 O43570 7/20 0.45
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2B P41595 1/20 0.39
CYP51A1 Q16850 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CA9 Q16790 1/20 0.37
CYP2A6 P11509 2/20 0.37
NCEH1 Q6PIU2 1/20 0.36

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
SCHEMBL3898652 0.78 LMNA (0.53) NR1I2LMNACYP1A2CYP3A4MAPT
SCHEMBL30772982 0.78 LMNA (0.53) NR1I2LMNACYP1A2CYP3A4MAPT
SCHEMBL10370627 0.76 CA12 (0.62) CA2CA12MAPTTDP1MRGPRX4
SCHEMBL4717002 0.73 MRGPRX4 (0.51) CA2CA12MRGPRX4CA9CYP2A6
SCHEMBL9828803 0.73 HTR1B (0.49) CA2CA12MRGPRX4CA9CYP2A6
SCHEMBL4072743 0.72 NCEH1 (0.66) NR1I2LMNACYP1A2CYP3A4MAPT
SCHEMBL826624 0.72 CYP2A6 (0.55) CA2CA12CYP1A2MAPTCHRNB4
SCHEMBL3794109 0.71 CA2 (0.46) CA2CA12MAPTMAPK1MRGPRX4
SCHEMBL75412 0.71 CA12 (0.46) CA2CA12MRGPRX4CA9CYP2A6
SCHEMBL5858853 0.71 FLT3 (0.52) CA2MAPTTDP1

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 CA2 1076/4885CA12 3191/4885NR1I2 1363/4885

“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.