SCHEMBL4317899

SCHEMBL4317899

CCC(c1ccc(C(F)(F)F)cc1)N(Cc1ccc(C#Cc2ccc(OCc3ccccc3)cc2)cc1)C(=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.48
PPARG P37231 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
MAOB P27338 3/20 0.44
ALOX5 P09917 2/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
PSEN1 P49768 3/20 0.43
PTGES O14684 2/20 0.43
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
PTPN11 Q06124 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
MME P08473 1/20 0.42
ACE P12821 1/20 0.42

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
SCHEMBL4330616 0.87 NPC1 (0.51) FFAR1PPARGMAOB
SCHEMBL1855944 0.86 ACACB (0.40) FFAR1PPARGALOX5PTGES
SCHEMBL1856634 0.83 PTGES (0.41) FFAR1PSEN1PTGESPTPN11
SCHEMBL1854045 0.82 MAOB (0.50) FFAR1L3MBTL1MAOBALOX5PTGS1
SCHEMBL1857802 0.81 PTPN11 (0.42) FFAR1PTGESPTPN11
SCHEMBL4318975 0.81 PTPN11 (0.42) FFAR1PTGESPTPN11
SCHEMBL1854186 0.81 PPARG (0.42) FFAR1PPARGALOX5PTGES
SCHEMBL1855561 0.79 MDM2 (0.40) FFAR1PPARGMAOBPTGS1
SCHEMBL4324666 0.79 FFAR1 (0.46) FFAR1PPARGPTGESPTPN11
SCHEMBL1856010 0.79 FFAR1 (0.46) FFAR1PPARGPTGESPTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 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 (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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 FFAR1 619/4885PPARG 461/4885L3MBTL1 3623/4885

“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.