SCHEMBL6912635

SCHEMBL6912635

CC(=O)C[S+]([O-])c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CES2 O00748 4/20 0.37
CES1 P23141 4/20 0.37
ALOX15 P16050 1/20 0.36
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
HSD17B10 Q99714 3/20 0.34
NAPRT Q6XQN6 2/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL3227911 1.00 ALDH1A1 (0.41) ALDH1A1CES2CES1ALOX15ERCC5
SCHEMBL30828026 0.83 CES1 (0.39) ALDH1A1CES2CES1ALOX15ERCC5
SCHEMBL3068992 0.83 CES1 (0.39) ALDH1A1CES2CES1ALOX15ERCC5
SCHEMBL9639802 0.83 CES1 (0.39) ALDH1A1CES2CES1ALOX15ERCC5
SCHEMBL7333619 0.83 TSHR (0.31) ALDH1A1CES2CES1TSHRTDP1
SCHEMBL7382446 0.82 CA2 (0.36) ALDH1A1CA12CA1CA2CA4
SCHEMBL254515 0.82 ALDH1A1 (0.37) ALDH1A1CES2CES1LMNAMAPT
SCHEMBL6916923 0.80 ALDH1A1 (0.47) ALDH1A1CES2CES1ALOX15ERCC5
SCHEMBL11266354 0.80 EPHX1 (0.39) ALDH1A1ERCC5FEN1HSD17B10NAPRT
SCHEMBL8497023 0.80 MTNR1A (0.37) MTNR1AMTNR1BCYP2D6PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283410-A1 FUSED HETEROCYCLIC COMPOUNDS AS GPR120 AGONISTS Piramal Enterprises Limited (IN) 2017-10-05 US disclosed
US-20170210731-A1 SUBSTITUTED PHENYL ALKANOIC ACID COMPOUNDS AS GPR120 AGONISTS AND USES THEREOF Piramal Enterprises Limited (IN) 2017-07-27 US disclosed
US-6727294-B2 RADIATION TRANSPARENT MOLDING MATERIALS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2004-04-27 US disclosed
EP-0794218-B1 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENG PLASTICS CORP (JP) 2003-10-15 EP disclosed
EP-0753540-B1 Polycarbonate resin composition MITSUBISHI ENG PLASTICS CORP (JP) 2003-06-11 EP disclosed
US-6359028-B1 USED IN MEDICAL EQUIPMENT, DISCOLORATION INHIBITION MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2002-03-19 US disclosed
US-20010034419-A1 Radiation transparent molding materials MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2001-10-25 US disclosed
US-6040367-A EXCELLENT RESISTANCE TO AN IONIZING RADIATION, IN WHICH HETEROCYCLIC COMPOUND CONTAINING OXYMETHYLENE UNITS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2000-03-21 US disclosed
US-5977206-A Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-11-02 US disclosed
EP-0794218-A2 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-09-10 EP disclosed
EP-0753540-A2 Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-01-15 EP 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-20170283410-A1 FUSED HETEROCYCLIC COMPOUNDS AS GPR120 AGONISTS GPR180, GPR55, GPR68 ALDH1A1 2630/4885CES2 3663/4885CES1 2074/4885
US-20170210731-A1 SUBSTITUTED PHENYL ALKANOIC ACID COMPOUNDS AS GPR120 AGONISTS AND USES THEREOF FFAR1, FFAR3, GPR55 ALDH1A1 1420/4885CES2 3332/4885CES1 1308/4885

“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.