SCHEMBL13652191

SCHEMBL13652191

CCCSc1cc(F)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
HTT P42858 3/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL11156077 0.81 APP (0.44) PTGS2MEN1KMT2ACA9CA14
SCHEMBL3896498 0.76 PTGS2 (0.44) PTGS2MEN1KMT2ACA3CA6
SCHEMBL1136101 0.74 SLC6A2 (0.48) PTGS2MEN1KMT2AHTTKDM4E
SCHEMBL3847009 0.74 MEN1 (0.45) MEN1KMT2ACA3CA6CA5A
SCHEMBL69018 0.73 MEN1 (0.54) MEN1KMT2ACA3CA6CA5A
SCHEMBL10504004 0.72 PTGS2 (0.51) PTGS2CA3CA5ACA14CA5B
SCHEMBL3888072 0.72 IGF1R (0.47) KMT2ANPC1LMNAALOX15
SCHEMBL13647657 0.71 DAO (0.47) KMT2ACA3CA6CA9CA14
SCHEMBL10888337 0.70 KLF10 (0.46) MEN1KMT2AHTTMAPTGAA
SCHEMBL9006579 0.69 TYR (0.46) PTGS2MEN1KMT2ACA9CA14

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-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2009-10-22 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-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS TST, ARSA, STS PTGS2 1155/4885MEN1 2764/4885KMT2A 798/4885

“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.