SCHEMBL3076424

SCHEMBL3076424

CC(C)(C)OC(=O)N1[C@H](C=CCCCCCCCCC(=O)O)CS[C@@H]1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 3/20 0.39
▸ KLK5 Q9Y337 3/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ ABCB1 P08183 1/20 0.38
▸ TBXA2R P21731 2/20 0.35
▸ PTGER4 P35408 2/20 0.34
▸ FFAR2 O15552 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PTGER3 P43115 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ RIPK1 Q13546 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
SCHEMBL13101401 1.00 KLK7 (0.39) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL3076417 1.00 KLK7 (0.39) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL3075365 0.92 KLK7 (0.37) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL13091640 0.92 KLK7 (0.37) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL3075369 0.92 KLK7 (0.37) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL13101404 0.92 KLK7 (0.37) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL8899966 0.90 KLK7 (0.41) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL14024599 0.90 KLK7 (0.36) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL13091659 0.81 ABCB1 (0.46) ABCB1FFAR2HSD17B10POLBGAA
SCHEMBL13101308 0.81 ABCB1 (0.46) ABCB1FFAR2HSD17B10POLBGAA

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-9045401-B2 Methods for treating or ameliorating a melanoma and killing melanoma cells THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-06-02 — — US disclosed
US-20100266675-A1 LIPOPROTEINS, LIPOPEPTIDES AND ANALOGS, AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-21 — — 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-20100266675-A1 LIPOPROTEINS, LIPOPEPTIDES AND ANALOGS, AND METHODS FOR MAKING AND USING THEM LIPG, VEGFA, LIPE KLK7 984/4885KLK5 847/4885PRSS1 800/4885

“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.

Send feedback