SCHEMBL17999520

SCHEMBL17999520

Cc1ccc2c3c([nH]c2c1)CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C3

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F9 P00740 10/20 0.42
TACR1 P25103 1/20 0.41
CFTR P13569 1/20 0.36
NMBR P28336 2/20 0.35
GHSR Q92847 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BAZ2B Q9UIF8 1/20 0.34
LMNA P02545 1/20 0.34
PABPC1 P11940 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL17999521 1.00 F9 (0.42) F9TACR1CFTRNMBRGHSR
SCHEMBL17999310 0.92 TACR1 (0.43) F9TACR1CFTRNMBRGHSR
SCHEMBL29547755 0.92 F9 (0.40) F9TACR1CFTRNMBRGHSR
SCHEMBL17999311 0.92 TACR1 (0.43) F9TACR1CFTRNMBRGHSR
SCHEMBL29548267 0.91 F9 (0.40) F9TACR1CFTRNMBRGHSR
SCHEMBL5881032 0.86 TACR1 (0.51) TACR1NMBRGHSRMEN1KMT2A
SCHEMBL29547959 0.86 TACR1 (0.38) F9TACR1NMBRGHSRKMT2A
SCHEMBL17999457 0.80 F9 (0.45) F9TACR1CFTRNMBRBAZ2B
SCHEMBL17999464 0.79 F9 (0.45) F9TACR1CFTRNMBRBAZ2B
SCHEMBL17999559 0.73 F9 (0.41) F9TACR1NMBR

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
EP-3258929-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-04-27 EP disclosed
US-10351558-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-16 US disclosed
US-20180022747-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-01-25 US disclosed
EP-3258929-A1 FACTOR IXa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-12-27 EP disclosed
WO-2016133793-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-25 WO 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 (2 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-20180022747-A1 Factor IXa Inhibitors F9, TFPI, F12 F9 1/4885TACR1 2148/4885CFTR 1583/4885
US-10351558-B2 Factor IXa inhibitors F9, TFPI, F12 F9 1/4885TACR1 2148/4885CFTR 1583/4885

“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.