SCHEMBL16634586

SCHEMBL16634586

COC(=O)c1ncc(F)cc1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.44
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
IKBKB O14920 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
SQOR Q9Y6N5 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
POLQ O75417 1/20 0.40

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
SCHEMBL31372850 0.81 NPSR1 (0.38) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL29601005 0.79 PDK2 (0.38) SLC6A4SLC6A3NPC1RAB9AL3MBTL1
SCHEMBL30499558 0.79 SLC6A4 (0.59) SLC6A4SLC6A3PTGS1PTGS2NPC1
SCHEMBL22290184 0.79 SLC6A4 (0.59) SLC6A4SLC6A3PTGS1PTGS2NPC1
SCHEMBL29738141 0.77 NPSR1 (0.43) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL644695 0.77 NPSR1 (0.43) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL18061482 0.77 ALDH1A1 (0.43) SLC6A4SLC6A3PTGS2NPC1RAB9A
SCHEMBL27667113 0.77 IKBKB (0.50) SLC6A4SLC6A3PTGS2NPC1CASP3
SCHEMBL2592299 0.76 AGBL2 (0.47) NPC1CASP3RAB9ASMN1; SMN2SENP8
SCHEMBL14260604 0.76 OPRK1 (0.47) SLC6A4SLC6A3NPC1CASP3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239863-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-26 US disclosed
US-10239863-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-26 US disclosed
US-20180179180-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-28 US disclosed
US-20180179180-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-28 US disclosed
US-20180179180-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-28 US disclosed
US-20160257668-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-09-08 US disclosed
US-20160257668-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-09-08 US disclosed
US-20160257668-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-09-08 US disclosed
EP-3054944-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-08-17 EP disclosed
WO-2015054087-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015054087-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 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 (3 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-20180179180-A1 Factor XIa Inhibitors F11, SERPINC1, TFPI SLC6A4 4779/4885SLC6A3 4862/4885PTGS1 789/4885
US-20160257668-A1 Factor XIa Inhibitors F11, SERPINC1, TFPI SLC6A4 4779/4885SLC6A3 4862/4885PTGS1 789/4885
US-10239863-B2 Factor XIa inhibitors F11, SERPINC1, TFPI SLC6A4 4779/4885SLC6A3 4862/4885PTGS1 789/4885

“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.