SCHEMBL2023201

SCHEMBL2023201

Cc1ccc(SCl)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HAO1 Q9UJM8 1/20 0.43
HPGD P15428 2/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 7/20 0.39
HTR3A P46098 7/20 0.39
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 4/20 0.38
CYP2A6 P11509 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38

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) TP53TDP1HAO1HPGDPKM
SCHEMBL2019539 0.80 HSD17B10 (0.43) TP53TDP1HPGDSMN1; SMN2LMNA
SCHEMBL76793 0.79 HAO1 (0.55) TP53TDP1HAO1HPGDPKM
SCHEMBL29411684 0.79 NPC1 (0.50) TP53TDP1HAO1HPGDPKM
SCHEMBL29475022 0.79 HAO1 (0.55) TP53TDP1HAO1HPGDPKM
SCHEMBL576257 0.79 NPC1 (0.50) TP53TDP1HAO1HPGDPKM
SCHEMBL23912809 0.78 CYP1A2 (0.40) TP53TDP1HPGDSMN1; SMN2HTR1A
SCHEMBL735441 0.77 HSD17B10 (0.44) TP53TDP1HAO1HPGDPKM
SCHEMBL23912730 0.76 NFE2L2 (0.36) TP53TDP1HPGDSMN1; SMN2HTR1A
SCHEMBL25613587 0.76 ACHE (0.35) SMN1; SMN2CYP1A2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015079018-A1 SYNTHESIS OF VORTIOXETINE VIA (2-(PIPERAZINE-1 -YL)PHENVL)LITHIUM INTERMEDIATES LEK PHARMACEUTICALS D.D. (SI) 2015-06-04 WO claimed
EP-2878596-A1 Synthesis of vortioxetine via (2-(piperazine-1-yl)phenyl)lithium intermediates LEK Pharmaceuticals d.d. (SI) 2015-06-03 EP claimed
EP-1939204-B3 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2022-08-24 EP disclosed
CN-105939995-A Synthesis of vortioxetine via (2-(piperazine-1 -yl)phenvl)lithium intermediates 斯洛文尼亚莱柯制药股份有限公司 2016-09-14 CN disclosed
WO-2015079018-A1 SYNTHESIS OF VORTIOXETINE VIA (2-(PIPERAZINE-1 -YL)PHENVL)LITHIUM INTERMEDIATES LEK PHARMACEUTICALS D.D. (SI) 2015-06-04 WO disclosed
WO-2015079018-A1 SYNTHESIS OF VORTIOXETINE VIA (2-(PIPERAZINE-1 -YL)PHENVL)LITHIUM INTERMEDIATES LEK PHARMACEUTICALS D.D. (SI) 2015-06-04 WO disclosed
EP-2878596-A1 Synthesis of vortioxetine via (2-(piperazine-1-yl)phenyl)lithium intermediates LEK Pharmaceuticals d.d. (SI) 2015-06-03 EP disclosed
EP-2878596-A1 Synthesis of vortioxetine via (2-(piperazine-1-yl)phenyl)lithium intermediates LEK Pharmaceuticals d.d. (SI) 2015-06-03 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 TP53 3229/4885TDP1 2506/4885HAO1 2804/4885

“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.