SCHEMBL4896586

SCHEMBL4896586

Cc1ccc(S(=O)(=O)Nc2ccc(N3CC4C(C3)C4NC(=O)O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
MAPT P10636 3/20 0.60
RECQL P46063 1/20 0.60
USP2 O75604 1/20 0.58
HPGD P15428 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
KMT2A Q03164 2/20 0.49
GFER P55789 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
POLB P06746 3/20 0.48
HDAC4 P56524 2/20 0.48

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
SCHEMBL4635298 0.84 ALDH1A1 (0.64) ALDH1A1MAPTRECQLUSP2HPGD
SCHEMBL4635502 0.81 MAPT (0.55) ALDH1A1MAPTRECQLUSP2HPGD
SCHEMBL2005010 0.73 CA12 (0.81) ALDH1A1MAPTRECQLHPGDCA12
SCHEMBL4896088 0.72 NOTUM (0.46) ALDH1A1MAPTRECQLUSP2KMT2A
SCHEMBL1030477 0.71 GFER (0.83) ALDH1A1MAPTHPGDCA12CA1
SCHEMBL4777114 0.71 ACACB (0.44) ALDH1A1MAPTUSP2CA12CA1
SCHEMBL4779300 0.71 LMNA (0.42) ALDH1A1MAPTRECQLNPC1RAB9A
SCHEMBL4635251 0.70 CRHBP (0.71) ALDH1A1MAPTHPGDCRHBPCRHR2
SCHEMBL28170795 0.70 MAPT (0.79) ALDH1A1MAPTRECQLHPGDCA12
SCHEMBL11026205 0.69 CA12 (0.68) ALDH1A1MAPTRECQLUSP2HPGD

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 1 patent. 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

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.