SCHEMBL2777133

SCHEMBL2777133

CCC(=NO)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TRPA1 O75762 5/20 0.46
ABCB11 O95342 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ATM Q13315 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTR7 P34969 1/20 0.41
LMNA P02545 1/20 0.41
PTBP1 P26599 1/20 0.41
MGLL Q99685 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
DRD4 P21917 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2777130 1.00 GAA (0.50) GAAMEN1KMT2ATRPA1ABCB11
SCHEMBL18944664 0.81 ATM (0.42) GAAMEN1KMT2ATRPA1ABCB11
SCHEMBL13636390 0.80 GAA (0.52) GAAMEN1KMT2AATMNPC1
SCHEMBL10874676 0.80 ESR1 (0.54) GAAMEN1KMT2AATMSMN1; SMN2
SCHEMBL16563870 0.80 ESR1 (0.54) GAAMEN1KMT2AATMSMN1; SMN2
SCHEMBL12741450 0.80 ESR1 (0.54) GAAMEN1KMT2AATMSMN1; SMN2
SCHEMBL8910598 0.80 GAA (0.52) GAAMEN1KMT2AATMNPC1
SCHEMBL11956601 0.78 GAA (0.46) GAAMEN1KMT2ATRPA1ABCB11
SCHEMBL1546559 0.78 GAA (0.50) GAAMEN1KMT2AATMSMN1; SMN2
SCHEMBL1546560 0.78 GAA (0.50) GAAMEN1KMT2AATMSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933240-B2 Synthesis for thiazolidinedione compounds METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2015-01-13 US disclosed
CN-104011032-A Heteroarylpiperidine and piperazine derivatives as fungicides BAYER IP GMBH 2014-08-27 CN disclosed
EP-2227475-B1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN INC (US) 2014-02-19 EP disclosed
US-20130204008-A1 NOVEL SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2013-08-08 US disclosed
US-8269008-B2 Oxazolopyridine and isoxazolopyridine derivatives for use in the treatment of HIF-mediated conditions FIBROGEN, INC. (US) 2012-09-18 US disclosed
US-20100303928-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2010-12-02 US disclosed
CN-1128990-A N-substituted azaheterocyclic carboxylic acids and esters thereof NOVO NORDISK AS (DK) 1996-08-14 CN disclosed
US-4032644-A HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1977-06-28 US 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 (2 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-20130204008-A1 NOVEL SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS PPARG, PPARD, PPARA GAA 3026/4885MEN1 4289/4885KMT2A 2472/4885
US-20100303928-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS HIF1AN, HIF1A, EGLN2 GAA 565/4885MEN1 4798/4885KMT2A 697/4885

“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.