SCHEMBL13887635

SCHEMBL13887635

COC(=O)C(CC(=O)O)NCCC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
F2R P25116 1/20 0.33
RRM1 P23921 1/20 0.32
RRM2 P31350 1/20 0.32
RRM2B Q7LG56 1/20 0.32
KLK5 Q9Y337 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
CCKBR P32239 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KMT2A Q03164 1/20 0.30
PGD P52209 1/20 0.30

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
SCHEMBL29241835 1.00 ITGB3 (0.33) ITGB3ITGA2BF2RRRM1RRM2
SCHEMBL7097154 0.90 RRM1 (0.32) RRM1RRM2RRM2BSIGMAR1CCKBR
SCHEMBL7097493 0.86 CA1 (0.33)
SCHEMBL12788477 0.86 ALDH1A1 (0.30) TDP1
SCHEMBL5335559 0.84 GRN (0.39) RRM1RRM2RRM2BSIGMAR1CCKBR
SCHEMBL7099887 0.84 GRN (0.39) RRM1RRM2RRM2BSIGMAR1CCKBR
Hydrochloric Acid SCHEMBL7101089 0.82 GRN (0.38) RRM1RRM2RRM2BSIGMAR1CCKBR
SCHEMBL7213444 0.81 CCKBR (0.34) RRM1RRM2RRM2BSIGMAR1CCKBR
SCHEMBL5053951 0.78 ALDH1A1 (0.55) KLK5POLBKMT2A
SCHEMBL12829570 0.78 ALDH1A1 (0.55) KLK5POLBKMT2A

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-7514447-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-04-07 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 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-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE ITGB3 1243/4885ITGA2B 1241/4885F2R 483/4885

“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.