Sugi Predict

Sugi Predict / Compounds / SCHEMBL4294237

SCHEMBL4294237

SCHEMBL4294237

C=CS(=O)(=O)Nc1ccc([C@@H]2CC[C@H]3CCCCN32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.46
▸ TGM2 P21980 1/20 0.42
▸ CCNK O75909 2/20 0.35
▸ CDK12 Q9NYV4 2/20 0.35
▸ SRC P12931 1/20 0.34
▸ TEAD4 Q15561 1/20 0.34
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CCNH P51946 1/20 0.33
▸ MNAT1 P51948 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ GSTO1 P78417 1/20 0.32
▸ FKBP1A P62942 2/20 0.31

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
SCHEMBL4294233 1.00 HRH3 (0.46) HRH3TGM2CCNKCDK12SRC
SCHEMBL4294228 1.00 HRH3 (0.46) HRH3TGM2CCNKCDK12SRC
SCHEMBL4291010 0.83 HRH3 (0.52) HRH3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL13663365 0.83 HRH3 (0.52) HRH3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4291020 0.83 HRH3 (0.52) HRH3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4291017 0.83 HRH3 (0.52) HRH3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4299069 0.78 TGM2 (0.52) HRH3TGM2CCNKCDK12LMNA
SCHEMBL4299067 0.78 TGM2 (0.52) HRH3TGM2CCNKCDK12LMNA
SCHEMBL4295729 0.77 LTA4H (0.50) HRH3ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4290998 0.77 HRH3 (0.44) HRH3SRCALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 — — US disclosed
US-20050288323-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine APODACA RICHARD 2005-12-29 — — US disclosed
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine APODACA RICHARD (US) 2004-08-26 — — US disclosed
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-16 — — 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 (4 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-20050288323-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885TGM2 2834/4885CCNK 2534/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885TGM2 2834/4885CCNK 2534/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885TGM2 2834/4885CCNK 2534/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HRH3 7/4885TGM2 2828/4885CCNK 2574/4885

“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.