SCHEMBL20834029

SCHEMBL20834029

CCN(CC)c1ccc2cc(C(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCCN)NC(C)=O)C(N)=O)c(=O)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN2 P17706 2/20 0.49
▸ PTPN1 P18031 2/20 0.49
▸ F2 P00734 2/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ATM Q13315 2/20 0.44
▸ FURIN P09958 1/20 0.44
▸ MAOB P27338 2/20 0.44
▸ ROCK2 O75116 1/20 0.43
▸ HTR3A P46098 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HIF1A Q16665 1/20 0.43

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
SCHEMBL19423787 0.99 PTPN2 (0.50) PTPN2PTPN1F2MEN1MAPT
SCHEMBL19423826 0.89 MEN1 (0.52) MEN1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL27099971 0.81 KMT2A (0.57) MEN1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL20833849 0.81 TLR2 (0.45) PTPN1MEN1MAPTKMT2AALDH1A1
SCHEMBL19423827 0.81 PTPN1 (0.49) PTPN1KMT2AHTR3A
SCHEMBL17742665 0.80 KMT2A (0.65) MEN1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL19423733 0.77 MEN1 (0.55) MEN1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL12221079 0.77 KMT2A (0.59) MEN1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL22133047 0.75 NPY4R (0.56) PTPN2PTPN1FURIN
SCHEMBL13521824 0.74 ALDH1A1 (0.60) MEN1MAPTKMT2AALDH1A1SMN1; 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-20190083574-A1 THERMOGENIC COMPOSITIONS AND METHODS OHIO STATE INNOVATION FOUNDATION (US) 2019-03-21 — — 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-20190083574-A1 THERMOGENIC COMPOSITIONS AND METHODS LRBA, IAPP, FABP4 PTPN2 436/4885PTPN1 408/4885F2 4426/4885

“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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