SCHEMBL837058

SCHEMBL837058

CC(NC(=O)O)C(=O)COc1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
FFAR1 O14842 5/20 0.44
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.43
FAAH O00519 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
MAPK14 Q16539 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP3 P42574 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39
RAB9A P51151 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
SCHEMBL25840223 0.83 SMN1; SMN2 (0.46) SMN1; SMN2FFAR1PKMLMNAFAAH
SCHEMBL851513 0.82 CTSK (0.45) SMN1; SMN2FFAR1LMNAMEN1KMT2A
SCHEMBL4464857 0.81 CTSB (0.48) FFAR1MEN1HPGDKMT2ACASP3
SCHEMBL3010600 0.77 SMN1; SMN2 (0.41) SMN1; SMN2FAAH
SCHEMBL3010604 0.77 SMN1; SMN2 (0.41) SMN1; SMN2FAAH
SCHEMBL2949180 0.76 PKM (0.70) SMN1; SMN2FFAR1PKMPTGDR2L3MBTL1
SCHEMBL2945856 0.75 ALDH1A1 (0.58) SMN1; SMN2PKMLMNAFAAHALDH1A1
SCHEMBL13197618 0.73 MEN1 (0.44) SMN1; SMN2FFAR1PKMLMNAALDH1A1
SCHEMBL13239750 0.73 LMNA (0.58) SMN1; SMN2PKMLMNAALDH1A1MEN1
SCHEMBL13197626 0.73 MEN1 (0.44) SMN1; SMN2FFAR1PKMLMNAALDH1A1

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
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 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 (4 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 SMN1; SMN2 4640/4885FFAR1 2227/4885PKM 443/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 SMN1; SMN2 4640/4885FFAR1 2227/4885PKM 443/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 SMN1; SMN2 4640/4885FFAR1 2227/4885PKM 443/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 SMN1; SMN2 4640/4885FFAR1 2227/4885PKM 443/4885

“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.