SCHEMBL17107553

SCHEMBL17107553

O=Cc1coc2ccc(C(F)(F)F)cc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 11/20 0.50
▸ MAOB P27338 3/20 0.44
▸ MAOA P21397 2/20 0.44
▸ PTPN2 P17706 2/20 0.43
▸ POLB P06746 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ PIM1 P11309 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ ERN1 O75460 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL28119069 0.97 PTPN1 (0.48) PTPN1MAOBMAOAPTPN2POLB
SCHEMBL27697038 0.87 PTPN1 (0.43) PTPN1MAOBMAOAPTPN2POLB
SCHEMBL16619452 0.78 PON1 (0.41) EPHX2PIM1PIM2KDM4E
SCHEMBL4989809 0.77 PTPN1 (0.78) PTPN1MAOBMAOAPTPN2POLB
SCHEMBL4446704 0.74 KIF11 (0.42) MAOBEPHX2PIM1PIM2KDM4E
SCHEMBL15898959 0.74 PTPN1 (0.78) PTPN1MAOBMAOAPTPN2POLB
SCHEMBL15951253 0.74 PTPN1 (0.78) PTPN1MAOBMAOAPTPN2POLB
SCHEMBL20274083 0.74 EPHX2 (0.41) MAOBMAOAEPHX2PIM1PIM2
SCHEMBL21116465 0.73 TP53 (0.46) MAOBMAOAEPHX2
SCHEMBL29955641 0.73 PTPN1 (0.61) PTPN1MAOBMAOAPTPN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3126361-B1 CHROMENE AND 1,1A,2,7B-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-11-06 — — EP disclosed
US-20170166566-A1 SUBSTITUTED PYRIDO[1,2-a]PYRAZINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PFIZER (US) 2017-06-15 — — US disclosed
EP-3126361-A1 CHROMENE AND 1,1 A,2,7B-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2017-02-08 — — EP disclosed
WO-2015150957-A1 CHROMENE AND 1,1 A,2,7B-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-10-08 — — WO disclosed
US-20150274721-A1 NOVEL CHROMENE AND 1,1a,2,7b-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES PFIZER (US) 2015-10-01 — — 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-20150274721-A1 NOVEL CHROMENE AND 1,1a,2,7b-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES CYP4B1, CTRB1, CTRB2 PTPN1 1442/4885MAOB 55/4885MAOA 121/4885
US-20170166566-A1 SUBSTITUTED PYRIDO[1,2-a]PYRAZINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, PRNP, MAOB PTPN1 1304/4885MAOB 3/4885MAOA 15/4885

“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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