SCHEMBL2896474

SCHEMBL2896474

C=CCC(C)(C)CNC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
FAAH O00519 1/20 0.32
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL10815346 0.83 KMT2A (0.33) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL22028162 0.82 KMT2A (0.36) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL20189667 0.82 KMT2A (0.36) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL8216998 0.80 EPHX1 (0.33) L3MBTL1SMN1; SMN2HSD17B10ALDH1A1LMNA
SCHEMBL1979548 0.73 SMN1; SMN2 (0.38) L3MBTL1SMN1; SMN2HSD17B10ALDH1A1TSHR
SCHEMBL6729276 0.73 SMN1; SMN2 (0.38) SMN1; SMN2HSD17B10ALDH1A1TSHRCYP2D6
SCHEMBL927792 0.72 SMN1; SMN2 (0.34) SMN1; SMN2HSD17B10ALDH1A1TSHRCYP2D6
SCHEMBL23813395 0.72
SCHEMBL2044485 0.71 KDM4E (0.48) MEN1KMT2AALDH1A1TSHRCYP2D6
SCHEMBL6730282 0.71 ALDH1A1 (0.38) SMN1; SMN2HSD17B10MEN1KMT2AALDH1A1

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-2083844-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2013-11-27 EP disclosed
US-8377874-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-02-19 US disclosed
US-20100286185-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-11-11 US disclosed
EP-2083844-A2 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
WO-2008057208-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 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 (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-20100286185-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC L3MBTL1 2610/4885SMN1; SMN2 4284/4885HSD17B10 506/4885

“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.