SCHEMBL7014336

SCHEMBL7014336

COC(=S)CCc1ccc2occc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.48
CTNNB1 P35222 6/20 0.40
WNT3A P56704 6/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
MAOA P21397 1/20 0.36
SLC6A2 P23975 1/20 0.36
RAB9A P51151 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IDO1 P14902 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
SCHEMBL31745723 0.77 KDM4E (0.53) HTR1BCTNNB1WNT3ASLC5A1SLC5A2
SCHEMBL11097788 0.77 KDM4E (0.53) HTR1BCTNNB1WNT3ASLC5A1SLC5A2
SCHEMBL10507927 0.76 HTR1B (0.50) HTR1BCTNNB1WNT3ATAS1R3TAS1R1
SCHEMBL13750531 0.75 FFAR1 (0.58) HTR1BCTNNB1WNT3ACYP1A2
SCHEMBL13984172 0.74 CYP4F2 (0.54) HTR1BCTNNB1WNT3ASLC5A1SLC5A2
SCHEMBL3792011 0.74 HTR1B (0.55) HTR1BCTNNB1WNT3AEPM2APTPRC
SCHEMBL4521327 0.74 HTR1B (0.50) HTR1BCTNNB1WNT3AKDM4EMAPT
SCHEMBL28762517 0.74 CYP2C8 (0.50) HTR1BCTNNB1WNT3ATAS1R3TAS1R1
SCHEMBL14756106 0.73 HTR1B (0.58) HTR1BKDM4ELMNATP53CYP1A2
SCHEMBL7442715 0.73 HTR1B (0.50) HTR1BCTNNB1WNT3ATAS1R3TAS1R1

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 HTR1B 1274/4885CTNNB1 1294/4885WNT3A 1104/4885

“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.