Sugi Predict

Sugi Predict / Compounds / SCHEMBL4092354

SCHEMBL4092354

SCHEMBL4092354

C=Cc1ccc(C(=O)O)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.48
▸ PIM1 P11309 1/20 0.40
▸ PTPN1 P18031 3/20 0.40
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN6 P29350 1/20 0.39
▸ RARB P10826 3/20 0.39
▸ RARA P10276 2/20 0.39
▸ RARG P13631 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ALB P02768 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ ACMSD Q8TDX5 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ AKR1C1 Q04828 1/20 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
SCHEMBL28019094 0.85 MCL1 (0.44) MCL1PIM1PTPN1CES2CES1
SCHEMBL18097685 0.83 MAOB (0.42) MCL1CES2CES1ALDH1A1
SCHEMBL29956818 0.82 ALDH1A1 (0.47) PIM1PTPN1CES2CES1PTPN2
SCHEMBL943028 0.82 ALDH1A1 (0.47) PIM1PTPN1CES2CES1PTPN2
SCHEMBL220169 0.82 MCL1 (0.51) MCL1PTPN1PTPN2PTPN6TBK1
Bicarbonate SCHEMBL28992540 0.80 PLA2G7 (0.45) PIM1CES2CES1CYP1A2ALDH1A1
SCHEMBL15778474 0.79 CA12 (0.42) MCL1ALDH1A1CA12CA1CA2
SCHEMBL17201241 0.79 GAA (0.51) MCL1CES2CES1ALDH1A1KDM4E
SCHEMBL3579605 0.79 PIM1 (0.43) PIM1PTPN1CES2CES1PTPN2
SCHEMBL3595954 0.79 PIM1 (0.43) PIM1PTPN1CES2CES1PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071457-A Inhibitors of indoleamine 2, 3-dioxygenase 荷兰转化研究中心有限责任公司 2018-12-21 — — CN disclosed
CN-103748089-A Pesticidal compositions and methods relating thereto DOW AGROSCIENCES LLC 2014-04-23 — — CN disclosed
US-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS CONWAY ELIZABETH ANN 2009-09-24 — — US disclosed
US-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS CONWAY ELIZABETH ANN 2009-09-24 — — US disclosed
US-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS CONWAY ELIZABETH ANN 2009-09-24 — — US disclosed
EP-1874303-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2008-01-09 — — EP disclosed
WO-2006114313-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2006-11-02 — — 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-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS PTGER1, PTGDR, PTGIR MCL1 3116/4885PIM1 3295/4885PTPN1 1923/4885

“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.