SCHEMBL6776870

SCHEMBL6776870

COC(=O)[C@H](C)NC(=O)c1ccc(N)cc1C#CC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
BCL2L1 Q07817 1/20 0.40
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
P2RY6 Q15077 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
Hydrochloric Acid SCHEMBL6776865 0.99 ALOX5 (0.41) ALOX5BCL2L1ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL6776869 0.99 ALOX5 (0.41) ALOX5BCL2L1ADRB2ADRB1ADRB3
SCHEMBL6775099 0.85 TAS1R3 (0.48) BCL2L1
Hydrochloric Acid SCHEMBL6775095 0.85 TAS1R3 (0.47) BCL2L1
Hydrochloric Acid SCHEMBL6775089 0.85 TAS1R3 (0.47) BCL2L1
SCHEMBL6776372 0.84 ADRB2 (0.41) BCL2L1ADRB2ADRB1ADRB3GAA
SCHEMBL6776375 0.84 ADRB2 (0.41) BCL2L1ADRB2ADRB1ADRB3GAA
SCHEMBL6777997 0.82 TAS1R3 (0.44) ALOX5ADRB2ADRB1ADRB3LNPEP
Hydrochloric Acid SCHEMBL6777991 0.81 TAS1R3 (0.44) ALOX5ADRB2ADRB1ADRB3LNPEP
Hydrochloric Acid SCHEMBL6777995 0.81 TAS1R3 (0.44) ALOX5ADRB2ADRB1ADRB3LNPEP

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-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 ALOX5 608/4885BCL2L1 3199/4885ADRB2 1583/4885

“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.