SCHEMBL6790368

SCHEMBL6790368

CC[C@@H](C(=O)O)c1ccc(NC(=O)NCCCl)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.49
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
SLC6A3 Q01959 2/20 0.46
CASR P41180 5/20 0.46
ALDH1A1 P00352 2/20 0.45
CNR1 P21554 1/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6789874 1.00 EPHX1 (0.49) EPHX1CRHBPCRHR2SLC6A3CASR
SCHEMBL6380441 0.83 TSHR (0.56) EPHX1SLC6A3ALDH1A1CNR1MEN1
SCHEMBL5727321 0.83 EPHX1 (0.53) EPHX1SLC6A3CASRCNR1
SCHEMBL5726563 0.83 EPHX1 (0.53) EPHX1SLC6A3CASRCNR1
SCHEMBL5727545 0.83 EPHX1 (0.53) EPHX1SLC6A3CASRCNR1
SCHEMBL6380819 0.81 EPHX1 (0.67) EPHX1SLC6A3CASRCNR1MEN1
SCHEMBL31357785 0.77 CRHBP (0.55) CRHBPCRHR2ALDH1A1HTTMEN1
SCHEMBL6382165 0.76 MAPT (0.62) CNR1HTTMEN1KMT2AGAA
SCHEMBL261231 0.76 KIF11 (0.54) CRHBPCRHR2ALDH1A1HTTGAA
SCHEMBL10802920 0.76 CNR1 (0.63) ALDH1A1CNR1HTTMEN1KMT2A

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-20040235919-A1 Phenylacetamido-thiazole derivatives, process for the preparation and their use as antitumor agents PFIZER ITALIA S.R.I. (IT) 2004-11-25 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-20040235919-A1 Phenylacetamido-thiazole derivatives, process for the preparation and their use as antitumor agents CDK2, CDK1, CDKN1A EPHX1 3644/4885CRHBP 4741/4885CRHR2 4621/4885

“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.