SCHEMBL24419441

SCHEMBL24419441

COC(=O)COc1cc(-c2ccc(F)nc2)n(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
PKM P14618 1/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
ADORA2B P29275 2/20 0.36
ADORA1 P30542 2/20 0.36
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36
DYRK1A Q13627 2/20 0.36
GSK3B P49841 1/20 0.36
SYK P43405 1/20 0.36
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36

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
SCHEMBL27115875 0.89 CXCR1 (0.40) SMN1; SMN2MAPK1CXCR1CXCR2PKM
SCHEMBL27114091 0.88 KDM4E (0.43) SMN1; SMN2CXCR1CXCR2PKMMAPT
SCHEMBL27114095 0.88 PKM (0.53) PKMMAPTALDH1A1ADORA2BADORA1
SCHEMBL24409040 0.86 MAPT (0.49) SMN1; SMN2MAPK1CXCR1CXCR2PKM
SCHEMBL24419716 0.85 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1CXCR1CXCR2PKM
SCHEMBL24408952 0.84 FYN (0.43) SMN1; SMN2MAPK1CXCR1CXCR2PKM
SCHEMBL27114120 0.84 SMN1; SMN2 (0.40) SMN1; SMN2MAPK1CXCR1CXCR2PKM
SCHEMBL24409197 0.82 POLB (0.45) SMN1; SMN2MAPK1PKMMMP1MMP9
SCHEMBL24409332 0.82 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1PKMMMP1MMP9
SCHEMBL24419438 0.82 CXCR1 (0.40) SMN1; SMN2MAPK1CXCR1CXCR2PKM

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-20240067623-A1 [(1-PHENYL-5-HETEROARYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2024-02-29 US disclosed
WO-2022096445-A1 [(1-PHENYL-5-HETEROARYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 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-20240067623-A1 [(1-PHENYL-5-HETEROARYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS CYP4Z1, HPD, HAO1 SMN1; SMN2 3918/4885MAPK1 493/4885CXCR1 3356/4885

“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.