SCHEMBL17221964

SCHEMBL17221964

CC(C)(C)C(O)C(=O)N1CCCC1C(=O)NCc1cc(Cl)ccc1CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 1.00
F10 P00742 12/20 0.84
PRSS1 P07477 12/20 0.84
PRSS2 P07478 12/20 0.84
PRSS3 P35030 12/20 0.84
F12 P00748 10/20 0.80
F7 P08709 10/20 0.80
F9 P00740 3/20 0.64

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
SCHEMBL17221962 1.00 F2 (1.00) F2F10PRSS1PRSS2PRSS3
SCHEMBL20567697 0.91 F2 (1.00) F2F10PRSS1PRSS2PRSS3
SCHEMBL6921523 0.91 F2 (1.00) F2F10PRSS1PRSS2PRSS3
SCHEMBL20484185 0.91 F2 (1.00) F2F10PRSS1PRSS2PRSS3
SCHEMBL17236242 0.90 F2 (0.81) F2F10PRSS1PRSS2PRSS3
SCHEMBL15298962 0.89 F2 (1.00) F2F10PRSS1PRSS2PRSS3
SCHEMBL6923431 0.88 F2 (0.79) F2F10PRSS1PRSS2PRSS3
SCHEMBL6927684 0.84 F2 (0.73) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL16426767 0.84 F2 (1.00) F2F10PRSS1PRSS2PRSS3
SCHEMBL17221954 0.82 F2 (0.88) F2F10PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469608-B2 Thrombin inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-18 US claimed
US-20150315141-A1 Thrombin Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-05 US claimed
EP-2922535-B1 THROMBIN INHIBITORS MERCK SHARP & DOHME (US) 2021-11-10 EP disclosed
US-9469608-B2 Thrombin inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-18 US disclosed
US-20150315141-A1 Thrombin Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-05 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-20150315141-A1 Thrombin Inhibitors F3, F2, F9 F2 2/4885F10 24/4885PRSS1 766/4885

“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.