SCHEMBL583538

SCHEMBL583538

CCOC(=O)C(Br)C(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TRPA1 O75762 1/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.35
FAAH O00519 1/20 0.33
PIN1 Q13526 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL10883177 0.88 ALDH1A1 (0.46) ALDH1A1TRPA1LMNAHSD17B10ALOX15
Isobutane SCHEMBL6048714 0.83 ALDH1A1 (0.46) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL166529 0.83 ALDH1A1 (0.50) ALDH1A1TRPA1LMNAHSD17B10ALOX15
Propane SCHEMBL6048777 0.80 ALDH1A1 (0.48) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL6075002 0.80 ALDH1A1 (0.39) ALDH1A1TRPA1LMNAHSD17B10ALOX15
Butane SCHEMBL6048693 0.78 ALDH1A1 (0.46) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL2624094 0.76 SMN1; SMN2 (0.41) ALDH1A1CA12CA1CA2CA7
SCHEMBL3218141 0.76 ALDH1A1 (0.43) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL858260 0.76 ALDH1A1 (0.43) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL5092990 0.76 ALDH1A1 (0.43) ALDH1A1TRPA1LMNAHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
EP-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
EP-2925316-A1 SUBSTITUTED AMINO-ARYLCARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2015-10-07 EP disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
US-8278302-B2 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-02 US disclosed
EP-2432776-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS Chlorion Pharma, Inc. (CA) 2012-03-28 EP disclosed
CN-102388032-A Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INT 2012-03-21 CN disclosed
EP-2417120-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 WO disclosed
WO-2010115836-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 WO disclosed
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 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-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP ALDH1A1 577/4885TRPA1 196/4885LMNA 2913/4885
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP ALDH1A1 577/4885TRPA1 196/4885LMNA 2913/4885
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS CCR3, CCR1, CCR4 ALDH1A1 876/4885TRPA1 57/4885LMNA 4657/4885

“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.