Sugi Predict

Sugi Predict / Compounds / SCHEMBL299061

SCHEMBL299061

SCHEMBL299061

O=C(O)c1cc(Cc2c(F)cc(F)cc2F)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.45
▸ RAB9A P51151 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ GPR17 Q13304 1/20 0.35
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34

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
SCHEMBL298211 0.82 BAZ2B (0.46) DAOGAAALDH1A1LMNAMMP1
SCHEMBL13625658 0.79 DAO (0.54) DAORAB9AGAATDP1KDM4E
SCHEMBL1149473 0.73 DAO (0.55) DAORAB9AGAATDP1KDM4E
SCHEMBL8282638 0.73 GAA (0.58) DAORAB9AGAAALDH1A1LMNA
SCHEMBL1149419 0.72 DAO (0.71) DAORAB9AGAA
SCHEMBL7258022 0.71 DAO (0.57) DAORAB9AGAATDP1SMN1; SMN2
SCHEMBL1969273 0.70 — —
SCHEMBL1225699 0.70 DAO (0.60) DAORAB9AGAATDP1SMN1; SMN2
SCHEMBL299630 0.70 POLB (0.50) RAB9AGAATDP1SMN1; SMN2ALDH1A1
SCHEMBL2919651 0.70 DAO (0.54) DAORAB9AGAATDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102574838-B Pyrrole and [2,3-C] pyridine derivative using as P38 kinase inhibiting agents MERCK SHARP & DOHME 2014-07-02 — — CN disclosed
US-8513289-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2013-08-20 — — US disclosed
US-8513289-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2013-08-20 — — US disclosed
US-8513289-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2013-08-20 — — US disclosed
EP-2427452-A1 P38 KINASE INHIBITING AGENTS Merck Sharp & Dohme Corp. (US) 2012-03-14 — — EP disclosed
US-20120040999-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2012-02-16 — — US disclosed
US-20120040999-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2012-02-16 — — US disclosed
US-20120040999-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2012-02-16 — — US disclosed
WO-2010129208-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME CORP. (US) 2010-11-11 — — 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-20120040999-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 DAO 2216/4885RAB9A 401/4885GAA 3084/4885

“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.