Sugi Predict

Sugi Predict / Compounds / SCHEMBL2091236

SCHEMBL2091236

SCHEMBL2091236

Cc1c(F)cccc1NC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.68
▸ ALDH1A1 P00352 4/20 0.56
▸ GAA P10253 2/20 0.56
▸ RAB9A P51151 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ CXCR2 P25025 4/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ RIN1 Q13671 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ AGER Q15109 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PLA2G7 Q13093 1/20 0.43

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
SCHEMBL863826 0.86 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL30002532 0.86 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL2091233 0.86 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL4623246 0.85 MAPT (0.50) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL4304855 0.85 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL9331432 0.84 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL2091871 0.83 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1GAARAB9ANPC1
Hydrochloric Acid SCHEMBL11412334 0.83 MAPT (0.48) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL4177215 0.83 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1GAARAB9ANPC1
SCHEMBL6367216 0.82 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1GAARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2658844-B1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI SA (FR) 2016-10-26 — — EP disclosed
US-9133168-B2 Pyrimidine derivatives, preparation thereof, and pharmaceutical use thereof as akt(pkb) phosphorylation inhibitors SANOFI (FR) 2015-09-15 — — US disclosed
EP-2658844-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2013-11-06 — — EP disclosed
US-20130274253-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2013-10-17 — — US disclosed
WO-2012089633-A9 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2012-08-23 — — WO disclosed
WO-2012089633-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2012-07-05 — — WO disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 — — US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 — — EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 — — US disclosed
US-20080051585-A1 Process for the preparation of indolin-2-one derivatives useful as PR modulators WYETH (US) 2008-02-28 — — US disclosed
WO-2008021422-A2 PROCESS FOR THE PREPARATION OF INDOLIN-2-ONE DERIVATIVES USEFUL AS PR MODULATORS WYETH (US) 2008-02-21 — — WO disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 — — EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 — — 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 (3 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-20130274253-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS TYMP, PIK3CA, PDPK1 SMN1; SMN2 3529/4885ALDH1A1 3350/4885GAA 1397/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 SMN1; SMN2 3787/4885ALDH1A1 412/4885GAA 3982/4885
US-20080051585-A1 Process for the preparation of indolin-2-one derivatives useful as PR modulators IDO1, INMT, PIR SMN1; SMN2 2688/4885ALDH1A1 1695/4885GAA 4853/4885

“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.