SCHEMBL12418393

SCHEMBL12418393

CC(C)[C@H]1CCC[C@@H]1CO

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
PABPC1 P11940 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
PTGS1 P23219 7/20 0.31
PTGS2 P35354 6/20 0.31
MT-CO1 P00395 1/20 0.31
MT-CO2 P00403 1/20 0.31
GBA1 P04062 1/20 0.31

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
SCHEMBL12418395 1.00 TRPA1 (0.35) TRPA1TRPM8PABPC1APOBEC3AAPOBEC3G
SCHEMBL9918285 1.00 TRPA1 (0.35) TRPA1TRPM8PABPC1APOBEC3AAPOBEC3G
SCHEMBL12418390 1.00 TRPA1 (0.35) TRPA1TRPM8PABPC1APOBEC3AAPOBEC3G
SCHEMBL12418391 1.00 TRPA1 (0.35) TRPA1TRPM8PABPC1APOBEC3AAPOBEC3G
SCHEMBL12868804 0.95 PABPC1 (0.38) TRPA1TRPM8PABPC1APOBEC3AAPOBEC3G
SCHEMBL13295358 0.95 PABPC1 (0.38) TRPA1TRPM8PABPC1APOBEC3AAPOBEC3G
SCHEMBL12868797 0.95 PABPC1 (0.38) TRPA1TRPM8PABPC1APOBEC3AAPOBEC3G
SCHEMBL14639637 0.95 PABPC1 (0.38) TRPA1TRPM8PABPC1APOBEC3AAPOBEC3G
SCHEMBL4661823 0.95 PABPC1 (0.38) TRPA1TRPM8PABPC1APOBEC3AAPOBEC3G
SCHEMBL13142017 0.95 PABPC1 (0.38) TRPA1TRPM8PABPC1APOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9616037-B2 Aryl-phenyl-sulfonamido-cycloalkyl compounds and their use PIMCO 2664 LIMITED (GB) 2017-04-11 US disclosed
US-9616037-B2 Aryl-phenyl-sulfonamido-cycloalkyl compounds and their use PIMCO 2664 LIMITED (GB) 2017-04-11 US disclosed
US-20160206578-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use PIMCO 2664 LIMITED (GB) 2016-07-21 US disclosed
US-9302984-B2 Aryl-phenyl-sulfonamido-cycloalkyl compounds and their use PIMCO 2664 LIMITED (GB) 2016-04-05 US disclosed
US-20150266815-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use PIMCO 2664 LIMITED (GB) 2015-09-24 US disclosed
US-9050329-B1 Aryl-phenyl-sulfonamido-cycloalkyl compounds and their use PIMCO 2664 LIMITED (GB) 2015-06-09 US disclosed
US-20150141472-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use PIMCO 2664 LIMITED (GB) 2015-05-21 US disclosed
US-8435968-B2 Aryl-phenyl-sulfonamido-cycloalkyl compounds and their use PIMCO 2664 LIMITED (GB) 2013-05-07 US disclosed
US-20110172189-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use PIMCO 2664 LIMITED (GB) 2011-07-14 US disclosed
US-7732424-B2 for reducing animal core temperatures and rate of oxygen consumption; protecting against myocardial damage during cardioplegia; cardiovascular disease, neurological disorders, ophthalmic conditions, ischemic conditions, reperfusion injury, obesity, wasting disease, and/or diabetes INOTEK PHARMACEUTICALS CORPORATION (US) 2010-06-08 US disclosed
US-20070238694-A1 Purine compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-11 US disclosed
US-20070191301-A1 Purine derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-08-16 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 (6 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-20110172189-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use SOST, AADAC, ARSA TRPA1 1831/4885TRPM8 4339/4885PABPC1 2141/4885
US-20150141472-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use SOST, AADAC, ARSA TRPA1 1852/4885TRPM8 4373/4885PABPC1 2220/4885
US-20070238694-A1 Purine compounds and methods of use thereof PNP, ADORA2A, P2RY1 TRPA1 785/4885TRPM8 1226/4885PABPC1 356/4885
US-20070191301-A1 Purine derivatives and methods of use thereof P2RY1, PNP, ADORA2A TRPA1 512/4885TRPM8 977/4885PABPC1 487/4885
US-20150266815-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use SOST, AADAC, ARSA TRPA1 1852/4885TRPM8 4373/4885PABPC1 2220/4885
US-20160206578-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use SOST, AADAC, ARSA TRPA1 1852/4885TRPM8 4373/4885PABPC1 2220/4885

“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.