SCHEMBL13779892

SCHEMBL13779892

CC(C)[C@H](NC(=O)[C@H](C)N)C(=N)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@@H](CCCCN)C(N)=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.47
PRMT5 O14744 7/20 0.46
WDR77 Q9BQA1 7/20 0.46
TSG101 Q99816 10/20 0.45
MEN1 O00255 1/20 0.44
OXTR P30559 1/20 0.42
AVPR1A P37288 1/20 0.42
AVPR1B P47901 1/20 0.42

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
SCHEMBL10182947 0.95 PRMT5 (0.51) TACR2PRMT5WDR77TSG101MEN1
SCHEMBL15591315 0.95 PRMT5 (0.51) TACR2PRMT5WDR77TSG101MEN1
SCHEMBL10167164 0.92 TACR2 (0.53) TACR2PRMT5WDR77TSG101MEN1
SCHEMBL15099968 0.92 PRMT5 (0.50) TACR2PRMT5WDR77TSG101MEN1
SCHEMBL13492856 0.91 PRMT5 (0.48) TACR2PRMT5WDR77TSG101MEN1
SCHEMBL12837921 0.89 MDM2 (0.42) TACR2PRMT5WDR77TSG101MEN1
SCHEMBL15088335 0.89 PRMT5 (0.48) TACR2PRMT5WDR77TSG101MEN1
SCHEMBL18595987 0.86 PRMT5 (0.49) TACR2PRMT5WDR77TSG101
SCHEMBL14144739 0.76 ALB (0.51) TACR2OXTRAVPR1AAVPR1B
SCHEMBL15489018 0.69 ALB (0.49) TACR2TSG101MEN1OXTRAVPR1A

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-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-09 US disclosed
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-09 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-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 TACR2 3952/4885PRMT5 148/4885WDR77 358/4885

“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.