SCHEMBL6924610

SCHEMBL6924610

COc1ccc(NC(c2ccc(Cl)cc2CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
F2 P00734 11/20 0.47
F10 P00742 4/20 0.47
PRSS1 P07477 4/20 0.47
PRSS2 P07478 4/20 0.47
PRSS3 P35030 4/20 0.47
EP300 Q09472 1/20 0.45
CREBBP Q92793 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
F12 P00748 2/20 0.44
F7 P08709 2/20 0.44
EPHX2 P34913 1/20 0.44
PKM P14618 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL6925078 0.90 ALDH1A1 (0.61) ALDH1A1F2F10PRSS1PRSS2
SCHEMBL6926479 0.86 F2 (0.60) ALDH1A1F2F10PRSS1PRSS2
SCHEMBL6925422 0.84 ALDH1A1 (0.62) ALDH1A1F2F10PRSS1PRSS2
SCHEMBL6923255 0.79 HTR2C (0.46) ALDH1A1EPHX2
SCHEMBL6925564 0.77 EGFR (0.45) ALDH1A1EP300CREBBP
SCHEMBL6924847 0.76 F2 (0.49) ALDH1A1F2F10PRSS1PRSS2
SCHEMBL6924003 0.75 ALDH1A1 (0.47) ALDH1A1F2F10PRSS1PRSS2
SCHEMBL6921229 0.75 F2 (0.60) ALDH1A1F2F10PRSS1PRSS2
SCHEMBL6926606 0.75 ALDH1A1 (0.71) ALDH1A1F2F10PRSS1PRSS2
SCHEMBL13374829 0.73 ALDH1A1 (0.74) ALDH1A1F2MEN1KMT2APKM

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-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 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-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI ALDH1A1 4773/4885F2 2/4885F10 22/4885

“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.