SCHEMBL20833849

SCHEMBL20833849

CCN(CC)c1ccc2cc(C(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)OCC3c4ccccc4-c4ccccc43)C(N)=O)c(=O)oc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.45
▸ HTR3A P46098 4/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ GBA1 P04062 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ MAOB P27338 3/20 0.40
▸ PTPN1 P18031 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL19423789 0.96 PTPN1 (0.43) TLR2HTR3AMEN1ALDH1A1MAPT
SCHEMBL19423827 0.91 PTPN1 (0.49) HTR3AKMT2APTPN1
SCHEMBL19423826 0.86 MEN1 (0.52) HTR3AMEN1ALDH1A1MAPTKMT2A
SCHEMBL19423787 0.82 PTPN2 (0.50) HTR3AMEN1ALDH1A1MAPTKMT2A
SCHEMBL20834029 0.81 PTPN2 (0.49) HTR3AMEN1ALDH1A1MAPTKMT2A
SCHEMBL12221119 0.81 TLR2 (0.42) TLR2ALDH1A1HPGDKDM4ENPC1
SCHEMBL19423735 0.77 TLR2 (0.59) TLR2KMT2APTPN1
SCHEMBL20357069 0.77 NPC1 (0.52) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL20370187 0.77 NPC1 (0.52) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL17742665 0.76 KMT2A (0.65) HTR3AMEN1ALDH1A1MAPTKMT2A

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-20220175872-A1 THERMOGENIC COMPOSITIONS AND METHODS OHIO STATE INNOVATION FOUNDATION 2022-06-09 — — US disclosed
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 (2 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-20220175872-A1 THERMOGENIC COMPOSITIONS AND METHODS LRBA, IAPP, FABP4 TLR2 705/4885HTR3A 1838/4885MEN1 4132/4885
US-20190083574-A1 THERMOGENIC COMPOSITIONS AND METHODS LRBA, IAPP, FABP4 TLR2 705/4885HTR3A 1838/4885MEN1 4132/4885

“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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