SCHEMBL6924852

SCHEMBL6924852

COc1ccc(NC(Cc2ccc(Cl)cc2C[N+]2(C(=O)[C@H](NC(=O)OC(C)(C)C)C3CCCCC3)CCC[C@H]2C(N)=O)C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.33
CTSL P07711 2/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
CACNA1B Q00975 2/20 0.32
PLAU P00749 1/20 0.31
HPN P05981 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6924004 0.85 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL7380160 0.77 CTSL (0.35) AAK1CTSLCTSSCTSKCACNA1B
SCHEMBL6921579 0.77 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL6924847 0.76 F2 (0.49) ALDH1A1
SCHEMBL6078328 0.76 AAK1 (0.34) AAK1CACNA1BSMN1; SMN2
SCHEMBL6078138 0.75 AAK1 (0.33) AAK1CACNA1B
SCHEMBL6077903 0.75 AAK1 (0.33) AAK1CACNA1BSMN1; SMN2
SCHEMBL6925791 0.74 F2 (0.40) ALDH1A1
SCHEMBL6919944 0.73 HTRA1 (0.42) ALDH1A1
SCHEMBL6924571 0.73 TP53 (0.34) AAK1CACNA1BSMN1; SMN2

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 AAK1 3541/4885CTSL 199/4885CTSS 323/4885

“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.