SCHEMBL10078884

SCHEMBL10078884

CC[C@H](CCc1ccccc1)NC(=O)[C@@H](C)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
MMP2 P08253 11/20 0.47
MMP3 P08254 8/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.47
CTSC P53634 1/20 0.45
MMP13 P45452 2/20 0.45
MMP1 P03956 1/20 0.45
MMP8 P22894 1/20 0.45
MMP12 P39900 1/20 0.45

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
SCHEMBL10079222 0.86 CYP3A4 (0.55) HPGD
SCHEMBL8778403 0.79 PRSS1 (0.47) TSHRMMP2MMP3SMN1; SMN2MEN1
SCHEMBL10060251 0.76 ANPEP (0.47) TSHRMMP2MMP3SMN1; SMN2MEN1
SCHEMBL12899397 0.75 NPC1 (0.58) TSHRMEN1KMT2AMMP8
SCHEMBL18814896 0.72 MME (0.61) MMP2MMP13MMP12
SCHEMBL14417688 0.72 TSHR (0.49) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL12899400 0.72 KMT2A (0.72) SMN1; SMN2KMT2AHPGDMMP8
SCHEMBL15468320 0.72 CYP3A4 (0.43) MMP2HPGDMMP8
SCHEMBL10565756 0.72 MEN1 (0.46) TSHRMEN1KMT2A
SCHEMBL10565751 0.72 MEN1 (0.46) TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648094-B2 IAP BIR domain binding compounds PHARMASCIENCE, INC. (CA) 2014-02-11 US disclosed
US-8163792-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2012-04-24 US disclosed
US-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2009-07-30 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-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 TSHR 3389/4885MMP2 2457/4885MMP3 3272/4885

“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.