SCHEMBL6155331

SCHEMBL6155331

CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1CS2(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.48
MAPK1 P28482 1/20 0.44
KDM1A O60341 3/20 0.44
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
ATM Q13315 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
PDK2 Q15119 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
NR1H2 P55055 1/20 0.42
NAMPT P43490 2/20 0.42
TACR1 P25103 1/20 0.40

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
SCHEMBL6155020 0.86 AVPR1A (0.51) AVPR1AMAPK1TSHRALOX15
SCHEMBL6155641 0.84 AVPR1A (0.52) AVPR1ATSHR
SCHEMBL6153716 0.79 KDM1A (0.50) AVPR1AKDM1AHDAC1HDAC8HDAC6
SCHEMBL6154922 0.79 AVPR1A (0.51) AVPR1AMAPK1KDM1ATSHRPDK2
SCHEMBL9965972 0.78 AVPR1A (0.48) AVPR1AMAPK1TSHR
SCHEMBL7672299 0.78 OPRD1 (0.46) MAPK1KDM1ATSHRALOX15ATM
SCHEMBL21940364 0.77 HDAC1 (0.49) AVPR1AMAPK1KDM1ATSHRALOX15
SCHEMBL2109651 0.76 RBP4 (0.51) MAPK1KDM1ATSHRALOX15HDAC1
SCHEMBL23902054 0.75 MAPK1 (0.51) MAPK1KDM1ATSHRALOX15ATM
SCHEMBL29609790 0.75 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209262-A1 Process for producing optically active sulfoxide SANKYO COMPANY, LIMITED (JP) 2005-09-22 US disclosed
EP-1557420-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SULFOXIDE Sankyo Company, Limited (JP) 2005-07-27 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
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-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-20050209262-A1 Process for producing optically active sulfoxide TST, TMT1A, PPOX AVPR1A 3530/4885MAPK1 2424/4885KDM1A 3224/4885

“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.