SCHEMBL3452947

SCHEMBL3452947

CC(C)(C)OC(=O)N[CH]C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
MAPK10 P53779 1/20 0.37
APLNR P35414 1/20 0.37
CTSK P43235 5/20 0.36
DGAT1 O75907 1/20 0.35
CA1 P00915 2/20 0.35
CA7 P43166 2/20 0.35
CA2 P00918 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
MIF P14174 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
CA14 Q9ULX7 2/20 0.33
CA12 O43570 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
SCHEMBL6595757 0.82 MAPK10 (0.39) TDP1MAPK10APLNRCTSKDGAT1
SCHEMBL12571335 0.77 MAPK10 (0.41) TDP1MAPK10APLNRCTSKDGAT1
SCHEMBL15096829 0.77 MAPK10 (0.41) TDP1MAPK10APLNRCTSKDGAT1
SCHEMBL208785 0.75 CTSK (0.42) TDP1MAPK10APLNRCTSKDGAT1
SCHEMBL5729371 0.75 CTSK (0.42) TDP1MAPK10APLNRCTSKDGAT1
SCHEMBL27733205 0.73 MAPK10 (0.39) TDP1MAPK10APLNRCTSKDGAT1
SCHEMBL4774889 0.73 MAPK10 (0.42) TDP1MAPK10APLNRCTSKDGAT1
SCHEMBL8317089 0.73 MAPK10 (0.39) TDP1MAPK10APLNRCTSKDGAT1
SCHEMBL1140993 0.73 MAPK10 (0.39) TDP1MAPK10APLNRCTSKDGAT1
SCHEMBL166623 0.71 CA1 (0.42) TDP1MAPK10APLNRCTSKDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0047079-B1 NONAPEPTIDES AFFECTING GONADAL FUNCTION THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1984-02-22 EP claimed
US-4382922-A Peptides affecting gonadal function THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1983-05-10 US claimed
EP-0021620-B1 WATER-SOLUBLE PEPTIDES AFFECTING GONADAL FUNCTION THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1983-02-23 EP claimed
US-4244946-A LUTEINIZING-HORMONE RELEASING FACTOR AGONISTS AS ANTIFERTILITY AGENTS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1981-01-13 US claimed
EP-0021620-A1 Water-soluble peptides affecting gonadal function THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1981-01-07 EP claimed
US-7820831-B2 Compounds comprising a thiocarbonyl-sulfanyl group which can be used for the radical synthesis of α-perfluoroalkylamine compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-10-26 US disclosed
US-20080306281-A1 NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINE COMPOUNDS RHODIA OPERATIONS (FR) 2008-12-11 US disclosed
US-7423161-B2 Compounds comprising a thiocarbonyl-sulfanyl group, which can be used for the radical synthesis of-α-perfluoroalkylamines RHODIA CHIMIE (FR) 2008-09-09 US disclosed
EP-0604957-B1 2-Amino-6,7-dihydroxy-4-thiaheptanoic acid derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-09-09 EP disclosed
EP-0624163-B1 CYCLIC CALCITONIN DERIVATIVES AND METHOD FOR THEIR PRODUCTION SMITHKLINE BEECHAM FARMA (IT) 1998-03-25 EP disclosed
US-5508382-A SYNTHETIC CALCITONIN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-16 US disclosed
US-5506267-A IMMUNOADJUVANT FOR BONE MARROW CELL GROWTH AFTERTREATMENT OF CHEMOTHERAPY OR RADIOTHERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-09 US disclosed
US-4159981-A CYCLIC POLYPEPTIDES, DEETHERIFICATION, DEESTERIFICATION CIBA-GEIGY CORPORATION (US) 1979-07-03 US disclosed
US-4086221-A SERUM CALCIUM REDUCING ACTIVITY TOYO JOZO KABUSHIKI KAISHA (JA) 1978-04-25 US disclosed
US-4018726-A [D-Phe6 ]-LH-RH and intermediates therefor SCHALLY ANDREW VICTOR 1977-04-19 US disclosed
US-4010125-A [D-Trp6 ]-LH-RH and intermediates therefor SCHALLY ANDREW VICTOR 1977-03-01 US disclosed
US-3994871-A Process for the manufacture of peptides containing cystine CIBA-GEIGY CORPORATION (US) 1976-11-30 US disclosed
US-3971737-A [2-Methyl-Ala6 ]LRH AMERICAN HOME PRODUCTS CORPORATION (US) 1976-07-27 US disclosed
US-3956260-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1976-05-11 US disclosed
US-3934008-A PEPTIDES, HYPOCALCAEMIC CIBA-GEIGY CORPORATION (US) 1976-01-20 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 (1 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-20080306281-A1 NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINE COMPOUNDS PFAS, SULT1A1, CYP2F1 TDP1 3009/4885MAPK10 3698/4885APLNR 2402/4885

“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.