SCHEMBL4635298

SCHEMBL4635298

Cc1ccc(S(=O)(=O)Nc2ccc(N3CC4C(N)C4C3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.64
MAPT P10636 7/20 0.64
RECQL P46063 1/20 0.64
USP2 O75604 1/20 0.62
HSD17B10 Q99714 1/20 0.51
NPY5R Q15761 3/20 0.51
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
MAPK1 P28482 1/20 0.49
GFER P55789 1/20 0.49
MCL1 Q07820 1/20 0.49

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
SCHEMBL4896586 0.84 ALDH1A1 (0.60) ALDH1A1MAPTRECQLUSP2HSD17B10
SCHEMBL4635502 0.82 MAPT (0.55) ALDH1A1MAPTRECQLUSP2HSD17B10
SCHEMBL4635459 0.80 CA12 (0.45) ALDH1A1MAPTRECQLLMNASMN1; SMN2
SCHEMBL4635251 0.80 CRHBP (0.71) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL2005010 0.76 CA12 (0.81) ALDH1A1MAPTRECQLHSD17B10LMNA
SCHEMBL1417537 0.72 CA1 (0.71) ALDH1A1MAPTNPY5RLMNACA12
SCHEMBL2240008 0.72 CA1 (0.71) ALDH1A1MAPTNPY5RLMNACA12
SCHEMBL7565259 0.72 CA1 (0.73) ALDH1A1MAPTLMNACA12CA1
SCHEMBL11705580 0.71 MEN1 (0.86) ALDH1A1MAPTRECQLHSD17B10LMNA
SCHEMBL9001311 0.71 CA12 (0.72) ALDH1A1MAPTRECQLHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300251-A1 Derivatives of 3-Azabicyclo[3.1.0] Hexane as Dipeptidyl Peptidase-IV Inhibitors RANBAXY LABORATORIES LIMITED (IN) 2008-12-04 US disclosed
EP-1931633-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS Ranbaxy Laboratories Limited (IN) 2008-06-18 EP disclosed
WO-2007029086-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO 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-20080300251-A1 Derivatives of 3-Azabicyclo[3.1.0] Hexane as Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP8 ALDH1A1 891/4885MAPT 4767/4885RECQL 3947/4885

“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.