SCHEMBL1170645

SCHEMBL1170645

CC(=O)N(c1cccc(C(F)(F)F)c1)[C@H](C(=O)OC(=O)CN)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 2/20 0.38
CETP P11597 2/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
USP2 O75604 2/20 0.36
CYP3A4 P08684 2/20 0.36
NR1I2 O75469 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL1434360 0.82 EPHX1 (0.46) NPSR1EPHX1HTR2AHTR2CHTR2B
SCHEMBL30781560 0.81 NPSR1 (0.45) NPSR1EPHX1OPRM1CES2KDM4E
Acetic Acid SCHEMBL3291394 0.80 EPHX1 (0.44) NPSR1EPHX1OPRM1CES2KDM4E
SCHEMBL1434358 0.80 NPSR1 (0.44) NPSR1EPHX1CETPCES2HDAC6
SCHEMBL18546019 0.79 NPSR1 (0.43) NPSR1CYP1A2HDAC6KDM4ETAS1R3
SCHEMBL5598191 0.79 NPSR1 (0.40) NPSR1CYP1A2CYP2C9ALOX15KDM4E
SCHEMBL5598193 0.79 NPSR1 (0.40) NPSR1CYP1A2CYP2C9ALOX15KDM4E
SCHEMBL29600101 0.79 NPSR1 (0.40) NPSR1CYP1A2CYP2C9ALOX15KDM4E
SCHEMBL2107552 0.79 NPSR1 (0.44) NPSR1EPHX1CETPHTR2AHTR2C
SCHEMBL15016758 0.77 ALDH1A1 (0.43) NPSR1HTR2AHTR2BCYP3A4ADRA2C

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
EP-2234674-B1 FLUID OIL-IN-WATER SUNSCREEN EMULSIONS CONTAINING A SELECTED GEMINI SURFACTANT AND A CROSSLINKED COPOLYMER OF METHACRYLIC ACID AND OF ETHYL ACRYLATE L'ORÉAL (FR) 2017-03-29 EP disclosed
US-20140287005-A1 PHOTOPROTECTIVE COMPOSITION CONTAINING AN UNMODIFIED GELLING STARCH AND POLYAMIDE PARTICLES L'OREAL (FR) 2014-09-25 US disclosed
US-8535647-B2 Cosmetic/sunscreen compositions containing dibenzoylmethane compounds and dithiolane compound photostabilizers therefor L'OREAL (FR) 2013-09-17 US disclosed
US-8241613-B2 Sun protection compositions comprising semi-crystalline polymers and hollow latex particles L'OREAL (FR) 2012-08-14 US disclosed
US-20110027202-A1 FLUID OIL-IN-WATER SUNSCREEN EMULSIONS CONTAINING GEMINI SURFACTANTS AND A CROSSLINKED COPOLYMER OF METHACRYLIC ACID AND OF C1-C4 ALKYL ACRYLATE L'OREAL (FR) 2011-02-03 US disclosed
US-20100086502-A1 Cosmetic/sunscreen compositions containing dibenzoylmethane compounds and dithiolane compound photostabilizers therefor L'OREAL (FR) 2010-04-08 US disclosed
US-20090041691-A1 Sun protection compositions comprising semi-crystalline polymers and hollow latex particles L'OREAL (FR) 2009-02-12 US disclosed
US-20090016971-A1 Aqueous fluid photoprotective compositions comprising tertiary-amide-terminated polyamide polymers L'OREAL (FR) 2009-01-15 US disclosed
US-20090018200-A1 COMPOSITION CONTAINING A PHENANTHRENOL L'OREAL (FR) 2009-01-15 US disclosed
US-20080159970-A1 KIT COMPRISING SILICONE COMPOUNDS AND A COSMETIC AND/OR DERMATOLOGICAL ACTIVE AGENT L'OREAL (FR) 2008-07-03 US disclosed
US-20080160088-A1 COMPOSITION CONTAINING HYDROXYAPATITE AND A CALCIUM SALT L'OREAL (FR) 2008-07-03 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 (7 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-20090041691-A1 Sun protection compositions comprising semi-crystalline polymers and hollow latex particles CTSA, CUTA, MCM7 NPSR1 4158/4885EPHX1 3607/4885CETP 651/4885
US-20080159970-A1 KIT COMPRISING SILICONE COMPOUNDS AND A COSMETIC AND/OR DERMATOLOGICAL ACTIVE AGENT KRT18, CUTA, KIT NPSR1 4102/4885EPHX1 1682/4885CETP 1749/4885
US-20100086502-A1 Cosmetic/sunscreen compositions containing dibenzoylmethane compounds and dithiolane compound photostabilizers therefor NOTUM, DDT, FDFT1 NPSR1 4016/4885EPHX1 1078/4885CETP 2222/4885
US-20110027202-A1 FLUID OIL-IN-WATER SUNSCREEN EMULSIONS CONTAINING GEMINI SURFACTANTS AND A CROSSLINKED COPOLYMER OF METHACRYLIC ACID AND OF C1-C4 ALKYL ACRYLATE C1S, TP53, CDC25C NPSR1 4474/4885EPHX1 1243/4885CETP 1811/4885
US-20090016971-A1 Aqueous fluid photoprotective compositions comprising tertiary-amide-terminated polyamide polymers CUTA, ATP5F1A, ATP5F1B NPSR1 3003/4885EPHX1 3438/4885CETP 955/4885
US-20090018200-A1 COMPOSITION CONTAINING A PHENANTHRENOL CUTA, AHR, TYR NPSR1 1264/4885EPHX1 556/4885CETP 2043/4885
US-20080160088-A1 COMPOSITION CONTAINING HYDROXYAPATITE AND A CALCIUM SALT CA2, NHERF1, CUTA NPSR1 2644/4885EPHX1 1979/4885CETP 1736/4885

“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.