SCHEMBL2953341

SCHEMBL2953341

CS(=O)(=O)OCCc1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
IDO1 P14902 3/20 0.43
S1PR4 O95977 2/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
ACHE P22303 1/20 0.39
CNR1 P21554 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR84 Q9NQS5 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
SCHEMBL15054089 0.87 ADRA1D (0.38) ALDH1A1HTT
SCHEMBL20187418 0.84 NR3C1 (0.39) CYP1A2CYP2C9CYP2C19
SCHEMBL16550662 0.83 IDO1 (0.55) ALDH1A1IDO1HTTMAPK1CYP1A2
SCHEMBL20303484 0.82 PSEN1 (0.39) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL15740356 0.81 NOS3 (0.36) ALDH1A1HTTMAPK1
SCHEMBL16726997 0.80 CA1 (0.46) ALDH1A1HTTMEN1KMT2ANPC1
SCHEMBL4852971 0.79 TAAR1 (0.46) ALDH1A1IDO1MAPK1
SCHEMBL3967013 0.79 CYP1A2 (0.48) ALDH1A1S1PR4CYP1A2CYP3A4CYP2C19
Methanesulfonic Acid Methyl Ester SCHEMBL19713558 0.78 HTT (0.47) ALDH1A1IDO1HTTMAPK1CYP1A2
SCHEMBL11046462 0.77 ALDH1A1 (0.40) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131969-A1 IMPROVED PROCESS FOR THE PREPARATION OF LULICONAZOLE KIMIA BIOSCIENCES LIMITED (IN) 2023-07-13 WO disclosed
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 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 (3 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-20070004750-A1 N-substituted piperazines PRXL2A, CNPY2, CYP4X1 ALDH1A1 641/4885IDO1 774/4885S1PR4 1351/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 ALDH1A1 641/4885IDO1 774/4885S1PR4 1351/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 ALDH1A1 641/4885IDO1 774/4885S1PR4 1351/4885

“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.