SCHEMBL3391000

SCHEMBL3391000

CS(=O)(=O)OCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.42
HTR2A P28223 6/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
MMP9 P14780 1/20 0.41
TSHR P16473 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
SMPD1 P17405 1/20 0.39
DRD1 P21728 1/20 0.39

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
SCHEMBL5492188 0.92 CHRNB2 (0.44) HRH1HTR2ACASRCA12CA1
SCHEMBL6981260 0.89 LMNA (0.48) HRH1HTR2ALMNAALDH1A1ALOX15
SCHEMBL13527883 0.87 KDM4E (0.52) HRH1HTR2ALMNAALDH1A1ALOX15
SCHEMBL10472662 0.85 RIPK1 (0.46) LMNAALDH1A1ALOX15KDM4EUSP2
SCHEMBL11044391 0.84 MMP13 (0.39) HRH1HTR2ALMNAALDH1A1ALOX15
SCHEMBL974205 0.84 RIPK1 (0.47) LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL974206 0.84 RIPK1 (0.47) LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL5303572 0.84 RIPK1 (0.47) LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL12283380 0.82 CCR5 (0.45) LMNAALDH1A1ALOX15KDM4EUSP2
SCHEMBL12406856 0.82 CYP1A2 (0.38) LMNAALDH1A1ALOX15KDM4EUSP2

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198902-B2 1,4-dihydropyridine-3,5-dicarboxylate derivatives and preparation and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2015-12-01 US disclosed
US-9198902-B2 1,4-dihydropyridine-3,5-dicarboxylate derivatives and preparation and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2015-12-01 US disclosed
US-9198902-B2 1,4-dihydropyridine-3,5-dicarboxylate derivatives and preparation and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2015-12-01 US disclosed
US-8927579-B2 Male contraceptive Amobi, Nnaemkea Ikechukwu (GB) 2015-01-06 US disclosed
US-8927579-B2 Male contraceptive Amobi, Nnaemkea Ikechukwu (GB) 2015-01-06 US disclosed
US-8778968-B2 2014-07-15 US disclosed
US-8778968-B2 2014-07-15 US disclosed
EP-2703398-A1 1,4-DIHYDROPYRIDINE -3,5-DICARBOXYLATE DERIVATIVES, PREPARATION METHODS AND USES THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2014-03-05 EP disclosed
EP-2703398-A1 1,4-DIHYDROPYRIDINE -3,5-DICARBOXYLATE DERIVATIVES, PREPARATION METHODS AND USES THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2014-03-05 EP disclosed
US-20140045896-A1 1,4-dihydropyridine-3,5-dicarboxylate Derivatives And Preparation And Use Thereof Xuanzhu Pharma Co., Ltd. (CN) 2014-02-13 US disclosed
EP-0988289-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-29 EP disclosed
EP-0929534-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS Takeda Pharmaceutical Company Limited (JP) 1999-07-21 EP disclosed
EP-0914319-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1999-05-12 EP disclosed
WO-1998055454-A2 BENZOFURANS AND BENZOTHOPHENES AS SUPPRESSORS OF NEURODEGENERATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-10 WO disclosed
US-5773469-A Diaryl antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-06-30 US disclosed
WO-1998013356-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-02 WO disclosed
WO-1997044329-A9 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS 1998-03-12 WO disclosed
WO-1997048674-A1 DIARYL ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-24 WO disclosed
WO-1997044329-A1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LIMITED (JP) 1997-11-27 WO disclosed
US-3935268-A CEREBRAL VASCULAR DISEASES DAINIPPON PHARMACEUTICAL CO., LTD. (JA) 1976-01-27 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-20140045896-A1 1,4-dihydropyridine-3,5-dicarboxylate Derivatives And Preparation And Use Thereof PKD1, REN, GLS HRH1 490/4885HTR2A 2720/4885LMNA 1560/4885

“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.