SCHEMBL23377841

SCHEMBL23377841

CCOC(=O)C(F)(F)[C@@H](N)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CES2 O00748 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL23377838 1.00 MAPT (0.45) MAPTSMN1; SMN2MAPK1KMT2AMEN1
Hydrochloric Acid SCHEMBL28557077 0.98 MAPT (0.44) MAPTSMN1; SMN2MAPK1KMT2AMEN1
Hydrochloric Acid SCHEMBL28557076 0.98 MAPT (0.44) MAPTSMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL6773107 0.86 POLB (0.47) MAPTLMNANPSR1GAA
SCHEMBL17857575 0.86 POLB (0.47) MAPTLMNANPSR1GAA
SCHEMBL29570205 0.83 MAPT (0.46) MAPTSMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL29570890 0.81 MAPT (0.44) MAPTSMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL18683160 0.77 TAAR1 (0.41) MAPTSMN1; SMN2MAPK1CYP1A2LMNA
SCHEMBL27406273 0.76 ALDH1A1 (0.40) MAPTMAPK1LMNANPSR1KDM4E
SCHEMBL8484492 0.76 MAPT (0.50) MAPTKMT2AMEN1CYP1A2LMNA

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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 — — US disclosed
WO-2021094209-A1 SUBSTITUTED PYRROLO TRIAZINE CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN EP3 RECEPTOR ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 — — WO 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK MAPT 3520/4885SMN1; SMN2 3131/4885MAPK1 2129/4885

“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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