SCHEMBL7749440

SCHEMBL7749440

COC(=O)C(CCCc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.51
ITGA2B P08514 7/20 0.51
F2R P25116 2/20 0.51
SSTR2 P30874 2/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
HCRTR1 O43613 1/20 0.44

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
SCHEMBL7498734 1.00 ITGB3 (0.51) ITGB3ITGA2BF2RSSTR2KMT2A
SCHEMBL7498731 0.87 ITGB3 (0.45) ITGB3ITGA2BF2RKMT2AMEN1
SCHEMBL7498728 0.86 HDAC3 (0.47) ITGB3ITGA2BF2RKMT2AMEN1
Hydrochloric Acid SCHEMBL7501740 0.81 ITGB3 (0.57) ITGB3ITGA2BF2R
SCHEMBL7504291 0.81 ALDH1A1 (0.52) ITGB3ITGA2BF2RALDH1A1
SCHEMBL7499589 0.81 ITGB3 (0.49) ITGB3ITGA2BF2RALDH1A1
SCHEMBL7498602 0.80 ITGB3 (0.49) ITGB3ITGA2BF2RKMT2A
SCHEMBL7500180 0.80 ITGB3 (0.48) ITGB3ITGA2BF2RSSTR2
SCHEMBL7446210 0.79 ITGB3 (0.60) ITGB3ITGA2BF2RKMT2AMEN1
SCHEMBL7746813 0.77 ITGB3 (0.53) ITGB3ITGA2BF2RSSTR2KMT2A

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-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-13 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-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof F13B, FGB, TGFB1 ITGB3 52/4885ITGA2B 14/4885F2R 234/4885

“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.