SCHEMBL17205455

SCHEMBL17205455

CCOC(=O)C(Cc1ccccc1)c1nc(-c2ccc(NC(=O)OC)cc2)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 9/20 0.43
ROCK2 O75116 4/20 0.43
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
MMP8 P22894 1/20 0.38
KLKB1 P03952 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38

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
SCHEMBL17205517 0.89 F11 (0.49) F11ROCK2NPC1RAB9ASMN1; SMN2
Lithium Ion SCHEMBL17205516 0.87 F11 (0.43) F11ROCK2NPC1RAB9ASMN1; SMN2
SCHEMBL12011584 0.85 SMN1; SMN2 (0.44) F11ROCK2NPC1RAB9ASMN1; SMN2
SCHEMBL1197260 0.84 SMN1; SMN2 (0.44) F11ROCK2NPC1RAB9ASMN1; SMN2
SCHEMBL22335085 0.83 F11 (0.43) F11ROCK2NPC1RAB9ASMN1; SMN2
SCHEMBL392816 0.82 TACR3 (0.47) ALDH1A1CYP2C9CYP2C19
SCHEMBL1196923 0.78 PTPRB (0.49) F11RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL393689 0.77 AR (0.41) F11HPGDKDM4EKLKB1
SCHEMBL17205884 0.77 F11 (0.50) F11ROCK2NPY1RNPY2RNPC1
SCHEMBL17995190 0.76 SMN1; SMN2 (0.44) ROCK2NPC1RAB9ASMN1; SMN2HPGD

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-3134408-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2020-08-12 EP disclosed
US-10093683-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-09 US disclosed
EP-3134408-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-03-01 EP disclosed
US-20170044183-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US disclosed
WO-2015164308-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-29 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-20170044183-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI F11 1/4885ROCK2 289/4885NPY1R 1226/4885
US-10093683-B2 Factor XIa inhibitors F11, F12, SERPINC1 F11 1/4885ROCK2 389/4885NPY1R 946/4885

“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.