SCHEMBL13382341

SCHEMBL13382341

O=C(O)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ KMT2A Q03164 1/20 0.46
▸ CD69 Q07108 3/20 0.44
▸ PKM P14618 1/20 0.43
▸ CASP3 P42574 3/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ CASP8 Q14790 1/20 0.43
▸ ELANE P08246 1/20 0.42
▸ ALOX15 P16050 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
SCHEMBL3216951 0.85 MAPT (0.50) TSHRSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL3410954 0.85 MAPT (0.48) TSHRSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL29503795 0.83 MAPT (0.43) TSHRSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL503651 0.82 SMN1; SMN2 (0.70) TSHRSMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL6642984 0.82 TSHR (0.44) TSHRSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL8063168 0.82 MAPT (0.48) TSHRSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL26623341 0.82 MAPT (0.48) TSHRSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL12745899 0.81 KDM4E (0.48) TSHRSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL19555342 0.79 ALOX15 (0.52) TSHRSMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL22308325 0.79 MAPT (0.49) TSHRSMN1; SMN2MAPTKDM4EALDH1A1

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
WO-2023215559-A1 COMPOUNDS, COMPOSITIONS, AND METHODS ARIA PHARMACEUTICALS, INC. (US) 2023-11-09 — — WO disclosed
WO-2023215559-A1 COMPOUNDS, COMPOSITIONS, AND METHODS ARIA PHARMACEUTICALS, INC. (US) 2023-11-09 — — WO disclosed
US-7692038-B2 Crystalline forms PFIZER, INC. (US) 2010-04-06 — — US disclosed
US-7692038-B2 Crystalline forms PFIZER, INC. (US) 2010-04-06 — — US disclosed
US-20080249031-A1 Of (3S)-3-[N (N'-(2-tert-butylphenyl)oxamyl)alaninyl]amino-5-(2',3',5',6'-tetrafluorophenoxy)-4-oxopentanoic acid; liver fibrosis PFIZER, INC. 2008-10-09 — — US disclosed
US-20080249031-A1 Of (3S)-3-[N (N'-(2-tert-butylphenyl)oxamyl)alaninyl]amino-5-(2',3',5',6'-tetrafluorophenoxy)-4-oxopentanoic acid; liver fibrosis PFIZER, INC. 2008-10-09 — — 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-20080249031-A1 Of (3S)-3-[N (N'-(2-tert-butylphenyl)oxamyl)alaninyl]amino-5-(2',3',5',6'-tetrafluorophenoxy)-4-oxopentanoic acid; liver fibrosis OTC, PYGL, SLC10A1 TSHR 2921/4885SMN1; SMN2 2956/4885MAPT 3153/4885

“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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