SCHEMBL20873383

SCHEMBL20873383

COC(=O)[C@@H](Cc1ccccc1)N=[N+]=[N-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 2/20 0.54
▸ POLB P06746 1/20 0.47
▸ PSMB5 P28074 5/20 0.46
▸ PSMB2 P49721 5/20 0.46
▸ PSMB1 P20618 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MMP8 P22894 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PSMB10 P40306 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42

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
SCHEMBL20873382 1.00 MIF (0.54) MIFPOLBPSMB5PSMB2PSMB1
SCHEMBL17323076 1.00 MIF (0.54) MIFPOLBPSMB5PSMB2PSMB1
SCHEMBL27181642 0.89 PPARG (0.46) MIFPSMB5PSMB2PSMB1RAB9A
SCHEMBL27181640 0.89 PPARG (0.46) MIFPSMB5PSMB2PSMB1RAB9A
SCHEMBL24534570 0.87 MIF (0.60) MIFTSHRKMT2AMEN1RAB9A
SCHEMBL27181532 0.87 MIF (0.60) MIFTSHRKMT2AMEN1RAB9A
SCHEMBL24534585 0.87 LDHA (0.51) MIFPSMB5PSMB2PSMB1KMT2A
SCHEMBL27181486 0.87 LDHA (0.51) MIFPSMB5PSMB2PSMB1KMT2A
SCHEMBL24534564 0.87 MIF (0.60) MIFTSHRKMT2AMEN1RAB9A
SCHEMBL21594430 0.85 MIF (0.46) MIFALDH1A1KMT2APPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563056-B Triazoles for modulating intracellular calcium homeostasis 巴斯克大学 2022-08-16 — — CN disclosed
US-11377427-B2 Triazoles for regulating intracellular calcium homeostasis UNIVERSIDAD DEL PAIS VASCO (ES) 2022-07-05 — — US disclosed
EP-3466933-B1 TRIAZOLES FOR REGULATING INTRACELLULAR CALCIUM HOMEOSTASIS UNIV DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2020-12-02 — — EP disclosed
US-20200317625-A1 TRIAZOLES FOR REGULATING INTRACELLULAR CALCIUM HOMEOSTASIS UNIVERSIDAD DEL PAIS VASCO (ES) 2020-10-08 — — US disclosed
EP-3466933-A1 TRIAZOLES FOR REGULATING INTRACELLULAR CALCIUM HOMEOSTASIS Universidad del Pais Vasco (ES) 2019-04-10 — — EP disclosed
CN-109563056-A For regulating and controlling the triazole of calcium homeostasis intracellular 巴斯克大学 2019-04-02 — — CN 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-11377427-B2 Triazoles for regulating intracellular calcium homeostasis RYR1, ATP2A3, RYR2 MIF 4335/4885POLB 4843/4885PSMB5 2174/4885
US-20200317625-A1 TRIAZOLES FOR REGULATING INTRACELLULAR CALCIUM HOMEOSTASIS RYR1, ATP2A3, RYR2 MIF 4335/4885POLB 4843/4885PSMB5 2174/4885

“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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