SCHEMBL12235060

SCHEMBL12235060

OCCCc1ccc(CCS)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.50
▸ CYP4A11 Q02928 2/20 0.47
▸ LTA4H P09960 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ PPARA Q07869 1/20 0.42
▸ CYP4F2 P78329 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ ESR1 P03372 3/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ SLC6A2 P23975 3/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ ADRA2A P08913 2/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ TACR2 P21452 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SHBG P04278 1/20 0.35
▸ TP53 P04637 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
SCHEMBL239040 0.87 CA2 (0.60) CA2CYP4A11LTA4HEPHX2PPARA
SCHEMBL12235091 0.84 CA2 (0.59) CA2CYP4A11PPARACYP4F2TDP1
SCHEMBL547631 0.84 CA2 (0.58) CA2CYP4A11LTA4HEPHX2PPARA
SCHEMBL242247 0.81 CA2 (0.62) CA2CYP4A11LTA4HEPHX2PPARA
SCHEMBL332100 0.81 GFER (0.42) CA2ESR1ESR2SLC6A2ADRA2A
SCHEMBL6034023 0.80 CA2 (0.50) CA2CYP4A11LTA4HEPHX2PPARA
SCHEMBL22611850 0.80 CA2 (0.50) CA2CYP4A11LTA4HEPHX2PPARA
SCHEMBL2329516 0.79 CA2 (0.54) CA2CYP4A11LTA4HEPHX2PPARA
SCHEMBL3535251 0.79 CA2 (0.54) CA2CYP4A11LTA4HEPHX2PPARA
SCHEMBL242504 0.78 CA2 (0.61) CA2CYP4A11LTA4HEPHX2CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279291-B1 COFERONS AND METHODS OF MAKING AND USING THEM UNIV CORNELL (US) 2019-07-03 — — EP disclosed
US-9943603-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2018-04-17 — — US disclosed
US-9943603-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2018-04-17 — — US disclosed
US-20150105553-A1 COFERONS AND METHODS OF MAKING AND USING THEM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 — — US disclosed
US-20150105553-A1 COFERONS AND METHODS OF MAKING AND USING THEM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 — — US disclosed
US-8853185-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2014-10-07 — — US disclosed
US-8853185-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2014-10-07 — — US disclosed
US-20110263688-A1 COFERONS AND METHODS OF MAKING AND USING THEM PURDUE RESEARCH FOUNDATION (US) 2011-10-27 — — 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 (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-20150105553-A1 COFERONS AND METHODS OF MAKING AND USING THEM MYOF, TNFSF11, F13B CA2 1318/4885CYP4A11 4632/4885LTA4H 3911/4885
US-20110263688-A1 COFERONS AND METHODS OF MAKING AND USING THEM MYOF, FTH1, TFRC CA2 2129/4885CYP4A11 4235/4885LTA4H 4104/4885

“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.

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