SCHEMBL31098043

SCHEMBL31098043

COC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)C=[N+]=[N-]

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.46
NOS3 P29474 5/20 0.46
NOS1 P29475 5/20 0.46
ACACB O00763 2/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
PPARG P37231 1/20 0.41
TSHR P16473 1/20 0.40
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL29820660 0.84 NOS2 (0.49) NOS2NOS3NOS1ACACBMEN1
SCHEMBL28912122 0.83 NOS2 (0.58) NOS2NOS3NOS1ALDH1A1LMNA
SCHEMBL28912123 0.83 NOS2 (0.58) NOS2NOS3NOS1ALDH1A1LMNA
SCHEMBL8815510 0.80 ACACB (0.45) ACACBALDH1A1PPARG
SCHEMBL13252035 0.79 ABCB1 (0.57) ACACBMEN1ALDH1A1LMNAKMT2A
SCHEMBL13933239 0.79 ABCB1 (0.57) ACACBMEN1ALDH1A1LMNAKMT2A
SCHEMBL3431290 0.78 ABCB1 (0.52) ACACBPPARG
SCHEMBL29821020 0.77 ACACB (0.49) NOS2NOS3NOS1ACACBMEN1
SCHEMBL13919532 0.74 CTSL (0.63) MEN1ALDH1A1LMNAKMT2ATSHR
SCHEMBL3359560 0.74 CTSL (0.63) MEN1ALDH1A1LMNAKMT2ATSHR

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-20240309557-A1 PYRAZOLE AND PYRAZOLINE-CONTAINING PEPTIDES, HIGH THROUGHPUT CLICK LIBRARIES, AND METHODS UNM RAINFOREST INNOVATIONS (US) 2024-09-19 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-20240309557-A1 PYRAZOLE AND PYRAZOLINE-CONTAINING PEPTIDES, HIGH THROUGHPUT CLICK LIBRARIES, AND METHODS PTMS, VIP, DNPEP NOS2 2462/4885NOS3 905/4885NOS1 2028/4885

“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.