SCHEMBL23377637

SCHEMBL23377637

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ FBP1 P09467 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ CTSL P07711 2/20 0.33

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
SCHEMBL28553281 1.00 MAPT (0.40) MAPTSMN1; SMN2FBP1KMT2AMAPK1
SCHEMBL17857574 0.89 MMP8 (0.42) MAPTSMN1; SMN2KMT2ALMNAHTT
SCHEMBL23373997 0.89 MAPT (0.38) MAPTSMN1; SMN2FBP1KMT2AMAPK1
SCHEMBL29494599 0.86 POLB (0.42) MAPTSMN1; SMN2FBP1KMT2ALMNA
SCHEMBL23112568 0.82 CTSL (0.37) MAPK1HTTKDM4ECTSLALDH1A1
SCHEMBL23112570 0.82 CTSL (0.37) MAPK1HTTKDM4ECTSLALDH1A1
SCHEMBL23112571 0.82 CTSL (0.37) MAPK1HTTKDM4ECTSLALDH1A1
SCHEMBL27406275 0.81 ALDH1A1 (0.36) MAPTMAPK1KDM4EGAANPSR1
SCHEMBL18898421 0.80 LMNA (0.37) SMN1; SMN2LMNAGAAMMP8ALDH1A1
SCHEMBL29748442 0.76 ALDH1A1 (0.42) MAPTSMN1; SMN2FBP1KMT2AMAPK1

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 3 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
CN-112469412-A Substituted dihydropyrazolopyrazine carboxamide derivatives 拜耳公司 2021-03-09 — — 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 (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 3131/4885FBP1 285/4885

“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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