SCHEMBL2958969

SCHEMBL2958969

CC(C)(C)OC(=O)N1CCN(C(=O)CSCc2ccc3sc4ccccc4c3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPT P10636 7/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK1 P28482 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
GAA P10253 1/20 0.43
AR P10275 1/20 0.43
ACKR3 P25106 1/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
GRM5 P41594 1/20 0.41

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
SCHEMBL2966016 0.76 ALDH1A1 (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL2964248 0.76 ALDH1A1 (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL2955930 0.75 PTPN7 (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL2963425 0.73 HPGD (0.48) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL2958973 0.70 ACKR3 (0.52) DTYMKSMN1; SMN2ALDH1A1MAPTCHRM2
SCHEMBL9886464 0.68 DTYMK (1.00) DTYMKRAB9ACHRM2CHRM4CHRM1
SCHEMBL22031555 0.68 L3MBTL1 (0.71) NPC1ALDH1A1MAPTLMNATSHR
SCHEMBL2848886 0.68 CHRM2 (0.53) DTYMKALDH1A1MAPTCHRM2CHRM4
SCHEMBL4720508 0.67 HSD11B1 (0.60) DTYMKSMN1; SMN2ALDH1A1CHRM2CHRM4
SCHEMBL4259621 0.67 ACACB (0.55) DTYMKMAPTCHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-7476690-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2009-01-13 US disclosed
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-26 US disclosed
US-7119214-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-10 US disclosed
US-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-12-22 US disclosed
EP-1589016-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-10-26 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 (3 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-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A DTYMK 1998/4885SMN1; SMN2 298/4885RAB9A 1610/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A DTYMK 1998/4885SMN1; SMN2 298/4885RAB9A 1610/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A DTYMK 1998/4885SMN1; SMN2 298/4885RAB9A 1610/4885

“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.