SCHEMBL4871917

SCHEMBL4871917

CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1C[S+]2[O-]

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
KDM1A O60341 4/20 0.43
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
PDK2 Q15119 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
NAMPT P43490 2/20 0.41
AVPR1A P37288 1/20 0.40
TACR1 P25103 1/20 0.39

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
SCHEMBL6996427 1.00 MAPK1 (0.44) MAPK1KDM1ATSHRALOX15ATM
SCHEMBL6153394 0.81 RBP4 (0.38) MAPK1
SCHEMBL2109651 0.78 RBP4 (0.51) MAPK1KDM1ATSHRALOX15HDAC1
SCHEMBL21940364 0.76 HDAC1 (0.49) MAPK1KDM1ATSHRALOX15ATM
SCHEMBL381500 0.76 KDM1A (0.52) MAPK1KDM1ATSHRALOX15ATM
SCHEMBL6970469 0.76 KDM1A (0.52) MAPK1KDM1ATSHRALOX15ATM
SCHEMBL6968834 0.76 KDM1A (0.52) MAPK1KDM1ATSHRALOX15ATM
SCHEMBL6959970 0.76 KDM1A (0.52) MAPK1KDM1ATSHRALOX15ATM
SCHEMBL29993455 0.76 KDM1A (0.52) MAPK1KDM1ATSHRALOX15ATM
SCHEMBL23902054 0.74 MAPK1 (0.51) MAPK1KDM1ATSHRALOX15ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396930-B2 making spiro(benzo(c)thiophene-1 (3H),4'-piperidine) derivatives; involves reacting a mercapto compound with a 2-halophenylalkyl halide, reacting with an alkyllithium, then N-ethoxycarbonyl-4-piperidone, dehydration and cyclization; industrial scale; novel intermediates to neurokinin receptor antagonist SANKYO COMPANY, LIMITED (JP) 2008-07-08 US disclosed
US-20050165037-A1 Process for producing cyclic thioether and synthetic intermediate thereof SANKYO COMPANY, LIMITED (JP) 2005-07-28 US disclosed
EP-1533314-A1 PROCESS FOR PRODUCING CYCLIC THIOETHER AND SYNTHETIC INTERMEDIATE THEREOF Sankyo Company, Limited (JP) 2005-05-25 EP disclosed
EP-0987269-B1 SALTS OF OPTICALLY ACTIVE SULFOXIDE DERIVATIVE SANKYO CO (JP) 2003-08-13 EP disclosed
US-6448247-B1 TACHYKININ RECEPTOR ANTAGONIST; ESPECIALLY TO THE RECEPTORS FOR SUBSTANCE P (WHICH RECEPTORS ARE GENERALLY REFERRED TO AS ?NEUROKININ 1 RECEPTORS?) SANKYO COMPANY, LIMITED (JP) 2002-09-10 US disclosed
US-6362179-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS SANKYO COMPANY, LIMITED (JP) 2002-03-26 US disclosed
EP-0776893-B1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO CO (JP) 2002-02-27 EP disclosed
US-6159967-A Heterocyclic compounds having tachykinin receptor antagonist activity their preparation and their use SANKYO COMPANY, LIMITED (JP) 2000-12-12 US disclosed
EP-0987269-A1 SALTS OF OPTICALLY ACTIVE SULFOXIDE DERIVATIVE Sankyo Company Limited (JP) 2000-03-22 EP disclosed
EP-0776893-A1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO COMPANY LIMITED (JP) 1997-06-04 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 (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-20050165037-A1 Process for producing cyclic thioether and synthetic intermediate thereof SULT1E1, TST, TMT1A MAPK1 1770/4885KDM1A 4024/4885TSHR 185/4885

“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.