SCHEMBL5099628

SCHEMBL5099628

CCOC(=O)CCC(=O)N(c1ccc(NC(=O)Cc2cc(C(=N)N)ccc2O)cc1C)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.38
F2 P00734 4/20 0.38
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
EGFR P00533 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PRSS1 P07477 1/20 0.35
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ANO1 Q5XXA6 4/20 0.34
TP53 P04637 1/20 0.33

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
Hydrochloric Acid SCHEMBL5089044 0.99 F10 (0.38) F10F2ITGB3ITGA2BEGFR
Hydrochloric Acid SCHEMBL5099591 0.93 EGFR (0.36) F10F2ITGB3ITGA2BEGFR
Hydrochloric Acid SCHEMBL5089064 0.91 ITGB3 (0.37) F10F2ITGB3ITGA2BALDH1A1
Hydrochloric Acid SCHEMBL5098935 0.87 MEN1 (0.36) F10F2ITGB3ITGA2BALDH1A1
SCHEMBL6556891 0.86 F2 (0.39) F10F2ITGB3ITGA2BPRSS1
Hydrochloric Acid SCHEMBL6554847 0.85 F2 (0.39) F10F2ITGB3ITGA2BPRSS1
Hydrochloric Acid SCHEMBL5093188 0.82 ITGB3 (0.39) F10F2ITGB3ITGA2BEGFR
SCHEMBL6554459 0.77 F10 (0.40) F10F2PRSS1
Hydrochloric Acid SCHEMBL6555877 0.76 F10 (0.39) F10F2PRSS1
SCHEMBL7560179 0.76 F10 (0.38) F10F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425641-B2 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-09-16 US claimed
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-03-24 US claimed

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-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F12, F11, F2 F10 23/4885F2 3/4885ITGB3 1094/4885

“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.