SCHEMBL2019539

SCHEMBL2019539

Cc1ccc(C)c(SCl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 3/20 0.43
ALOX15 P16050 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX12 P18054 1/20 0.43
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 4/20 0.42
JAK2 O60674 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
RAPGEF4 Q8WZA2 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
SCHEMBL11822275 0.82 TP53 (0.44) HSD17B10TP53MAPTALOX15LMNA
SCHEMBL2023201 0.80 TP53 (0.48) HSD17B10TP53MAPTALOX15LMNA
SCHEMBL38665977 0.79 NPC1 (0.50) HSD17B10TP53MAPTALOX15LMNA
SCHEMBL29823896 0.79 HSD17B10 (0.58) HSD17B10TP53MAPTALOX15LMNA
SCHEMBL916078 0.79 NPC1 (0.50) HSD17B10TP53MAPTALOX15LMNA
SCHEMBL3376143 0.79 MAPT (0.46) HSD17B10TP53MAPTALOX15LMNA
SCHEMBL2728633 0.79 HSD17B10 (0.58) HSD17B10TP53MAPTALOX15LMNA
SCHEMBL21415078 0.76 ALDH1A1 (0.35) ALOX15KMT2AALDH1A1CYP2A6NPC1
SCHEMBL18680906 0.76 TP53 (0.40) HSD17B10TP53MAPTALOX15LMNA
SCHEMBL27884492 0.76 ALOX15 (0.68) HSD17B10TP53MAPTALOX15LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3094325-B1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-10-13 EP disclosed
US-20110160488-A1 Fluorination Processes with Arylsulfur Halotetrafluorides I M &T RESEARCH, INC. (US) 2011-06-30 US disclosed
WO-2009114409-A2 FLUORINATION PROCESSES WITH ARYLSULFUR HALOTETRAFLUORIDES IM & T RESEARCH, INC. (US) 2009-09-17 WO 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-20110160488-A1 Fluorination Processes with Arylsulfur Halotetrafluorides CYP2F1, PFAS, CYP4F2 HSD17B10 1041/4885TP53 3229/4885MAPT 4139/4885

“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.