SCHEMBL17825663

SCHEMBL17825663

O=C(NCC(C(=O)O)c1cccc(F)c1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MGLL Q99685 2/20 0.46
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
OPRM1 P35372 2/20 0.44
OPRL1 P41146 2/20 0.44
HTT P42858 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC6A9 P48067 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A1 P43005 1/20 0.43
KCNA5 P22460 1/20 0.43

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
SCHEMBL6422096 0.89 HSD17B10 (0.51) CNR2LMNASMN1; SMN2MGLLALDH1A1
SCHEMBL7676954 0.87 LMNA (0.55) LMNASMN1; SMN2ALDH1A1HTTCTSL
SCHEMBL6962684 0.87 LMNA (0.55) LMNASMN1; SMN2ALDH1A1HTTCTSL
SCHEMBL7676950 0.87 LMNA (0.55) LMNASMN1; SMN2ALDH1A1HTTCTSL
SCHEMBL17825637 0.86 LMNA (0.49) CNR2LMNASMN1; SMN2MGLLALDH1A1
SCHEMBL23699389 0.84 CNR2 (0.44) CNR2LMNASMN1; SMN2MGLLALDH1A1
SCHEMBL23699392 0.84 CNR2 (0.44) CNR2LMNASMN1; SMN2MGLLALDH1A1
SCHEMBL23699393 0.82 SYK (0.44) CNR2LMNASMN1; SMN2MGLLALDH1A1
SCHEMBL23699390 0.82 SYK (0.44) CNR2LMNASMN1; SMN2MGLLALDH1A1
SCHEMBL7448245 0.81 CTSS (0.47) LMNASMN1; SMN2ALDH1A1HTTCYP2D6

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-3229801-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
US-10189819-B2 Factor IXa inhibitors MERCK SHARP & DOHME, CORP. (US) 2019-01-29 US disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
EP-3229801-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-18 EP disclosed
WO-2016094260-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-16 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 (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-20180030036-A1 Factor IXa Inhibitors F9, TFPI, F12 CNR2 3360/4885LMNA 1056/4885SMN1; SMN2 3148/4885
US-10189819-B2 Factor IXa inhibitors F9, TFPI, F12 CNR2 3360/4885LMNA 1056/4885SMN1; SMN2 3148/4885

“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.