SCHEMBL3852985

SCHEMBL3852985

Cc1cc(C(C)(C)C)c(Cl)c(C)c1[S]

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
TP53 P04637 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP1A2 P05177 2/20 0.32
ALDH1A1 P00352 2/20 0.31
CA2 P00918 1/20 0.31
POLB P06746 1/20 0.31
TYR P14679 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ATP2A2 P16615 1/20 0.30
ATP2A3 Q93084 1/20 0.30

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
Fluoride SCHEMBL915142 0.98 CYP2C9 (0.33) SMN1; SMN2CYP2C9CYP2C19TP53HIF1A
SCHEMBL14083173 0.80 ALDH1A1 (0.38) SMN1; SMN2CYP2C9CYP2C19TP53HIF1A
SCHEMBL12705761 0.80 SMN1; SMN2 (0.37) SMN1; SMN2CYP2C9CYP2C19TP53HIF1A
SCHEMBL7926904 0.77 SMN1; SMN2 (0.41) SMN1; SMN2CYP2C9CYP2C19TP53HIF1A
Fluoride SCHEMBL1336990 0.75 SMN1; SMN2 (0.34) SMN1; SMN2CYP2C9CYP2C19TP53HIF1A
SCHEMBL3852978 0.75 SMN1; SMN2 (0.34) SMN1; SMN2CYP2C9CYP2C19TP53HIF1A
SCHEMBL915297 0.75 SMN1; SMN2 (0.34) SMN1; SMN2CYP2C9CYP2C19TP53HIF1A
SCHEMBL914461 0.73 SMN1; SMN2 (0.33) SMN1; SMN2CYP2C9CYP2C19TP53HIF1A
SCHEMBL12705903 0.71 TP53 (0.32) SMN1; SMN2CYP2C9CYP2C19TP53HIF1A
SCHEMBL915143 0.71 TP53 (0.32) SMN1; SMN2CYP2C9CYP2C19TP53HIF1A

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-20090203924-A1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM&T RESEARCH, INC. (US) 2009-08-13 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-20090203924-A1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS PFAS, FRS2, FBL SMN1; SMN2 942/4885CYP2C9 2485/4885CYP2C19 2602/4885

“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.