SCHEMBL17099258

SCHEMBL17099258

C=CCc1ccccc1O[C@@H]1C[C@@H](C(=O)O)N(C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 6/20 0.39
KDM4E B2RXH2 3/20 0.38
HRH1 P35367 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
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
SCHEMBL13395442 0.76 P2RX3 (0.42) KDM4EALDH1A1ADRB2ADRB1ADRB3
SCHEMBL25365146 0.76 ALDH1A1 (0.42) AGTR2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3306123 0.73 GRIK1 (0.47) KDM4EHRH1
SCHEMBL15000283 0.73 AGTR2 (0.38) AGTR2
SCHEMBL15000098 0.72 AGTR2 (0.35) AGTR2
SCHEMBL22091707 0.71 SIGMAR1 (0.36) HRH1
SCHEMBL3113793 0.70 AGTR2 (0.44) AGTR2
SCHEMBL26121769 0.70 AGTR2 (0.44) AGTR2
SCHEMBL4246824 0.70 ALDH1A1 (0.44) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL17099127 0.70 NCEH1 (0.44) KDM4EALDH1A1TP53MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 US 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-20150266897-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC AGTR2 3399/4885KDM4E 2747/4885HRH1 4085/4885

“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.