SCHEMBL17368408

SCHEMBL17368408

CC(CC#N)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MLYCD O95822 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ TMPRSS6 Q8IU80 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CTSS P25774 1/20 0.38

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
SCHEMBL17368419 0.87 STAT3 (0.42) STAT3HSD17B10RAB9AALDH1A1SMN1; SMN2
SCHEMBL30407166 0.83 CTSS (0.48) CTSSCTSK
SCHEMBL25732129 0.83 CTSS (0.48) CTSSCTSK
SCHEMBL17368448 0.81 HSD17B10 (0.48) HSD17B10RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL17368413 0.81 HSD17B10 (0.48) HSD17B10RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL23486541 0.79 RAB9A (0.62) STAT3RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL17368417 0.78 KMT2A (0.59) RAB9AALDH1A1MEN1KMT2AGAA
SCHEMBL17368425 0.78 STAT3 (0.47) STAT3HSD17B10RAB9AALDH1A1SMN1; SMN2
SCHEMBL17368440 0.78 MAPT (0.56) HSD17B10RAB9AALDH1A1HTTMEN1
SCHEMBL23486469 0.77 MEN1 (0.63) STAT3HSD17B10RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2015-12-31 — — 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-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS MB, ALB, BCAT2 STAT3 3952/4885HSD17B10 3352/4885RAB9A 1659/4885

“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.

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