SCHEMBL7516303

SCHEMBL7516303

CS(=O)(=O)OCC(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA7 P43166 1/20 0.46
HTR2A P28223 4/20 0.39
HRH1 P35367 4/20 0.39
TAAR1 Q96RJ0 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP2C19 P33261 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PSIP1 O75475 1/20 0.35
CCR2 P41597 1/20 0.35

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
SCHEMBL7255639 0.84 TAAR1 (0.45) TAAR1
SCHEMBL7259968 0.84 TAAR1 (0.45) TAAR1
SCHEMBL7255641 0.84 TAAR1 (0.45) TAAR1
SCHEMBL27984691 0.82 CA12 (0.36) CA12CA1CA2CA9CA7
SCHEMBL5159743 0.82 LMNA (0.48) CYP1A2CYP2D6
SCHEMBL2542325 0.82 LMNA (0.48) CYP1A2CYP2D6
SCHEMBL11041406 0.82 MMP13 (0.38) CA12CA1CA2CA9CA7
SCHEMBL2541606 0.82 LMNA (0.48) CYP1A2CYP2D6
SCHEMBL11044378 0.82 CA1 (0.36) CA12CA1CA2CA9CA7
SCHEMBL11043161 0.82 TSHR (0.37) CA12CA1CA2CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103649075-B Isosorbide-5-Nitrae-dihydropyridine-3,5-dicarboxylate derivatives and preparation and application thereof XUANZHU PHARMA CO.,LTD. (CN) 2016-05-25 CN 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-9198902-B2 1,4-dihydropyridine-3,5-dicarboxylate derivatives and preparation and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2015-12-01 US disclosed
CN-103649075-A 1,4-dihydropyridine-3,5-dicarboxylate derivatives, preparation methods and uses thereof KBP BIOSCIENCES CO LTD 2014-03-19 CN 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
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
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
US-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 US disclosed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
EP-0929534-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS Takeda Pharmaceutical Company Limited (JP) 1999-07-21 EP disclosed
WO-1998013356-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-02 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 (2 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR CA12 3731/4885CA1 2224/4885CA2 770/4885
US-20140045896-A1 1,4-dihydropyridine-3,5-dicarboxylate Derivatives And Preparation And Use Thereof PKD1, REN, GLS CA12 2775/4885CA1 1135/4885CA2 379/4885

“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.