SCHEMBL1809212

SCHEMBL1809212

CC(O)N(CC(O)CN1c2ccccc2Sc2ccc(C(F)(F)F)cc21)C(C)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 16/20 0.72
TP53 P04637 2/20 0.55
NPC1 O15118 1/20 0.55
ABCB11 O95342 1/20 0.55
CYP1A2 P05177 1/20 0.55
CHRM2 P08172 1/20 0.55
ABCB1 P08183 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2D6 P10635 1/20 0.55
CHRM1 P11229 1/20 0.55
TSHR P16473 1/20 0.55
DRD1 P21728 1/20 0.55
TBXA2R P21731 1/20 0.55
SLC6A2 P23975 1/20 0.55
MAPK1 P28482 1/20 0.55
SLC6A4 P31645 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRM1 P35372 1/20 0.55

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
SCHEMBL26000537 0.89 FPR2 (0.75) FPR2TP53NPC1ABCB11CYP1A2
SCHEMBL21445254 0.86 FPR2 (0.72) FPR2TP53NPC1ABCB11CYP1A2
SCHEMBL26002013 0.86 FPR2 (0.71) FPR2TP53NPC1ABCB11CYP1A2
SCHEMBL21445264 0.84 FPR2 (1.00) FPR2TP53NPC1ABCB11CYP1A2
SCHEMBL30056638 0.84 FPR2 (1.00) FPR2TP53NPC1ABCB11CYP1A2
SCHEMBL30534407 0.83 FPR2 (0.69) FPR2TP53NPC1ABCB11CYP1A2
SCHEMBL21445268 0.83 FPR2 (0.69) FPR2TP53NPC1ABCB11CYP1A2
SCHEMBL23060018 0.82 FPR2 (0.67) FPR2TP53NPC1ABCB11CYP1A2
Hydrochloric Acid SCHEMBL23039379 0.82 FPR2 (0.68) FPR2TP53ABCB11MAPK1MEN1
SCHEMBL1809214 0.81 FPR2 (0.73) FPR2TP53ABCB11CYP1A2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9820990-B2 Methods of treating disorders associated with protein aggregation The University of Pittsburgh—Of the Commonwealth System of Higher Education (US) 2017-11-21 US claimed
US-20160361319-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH PROTEIN AGGREGATION UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-12-15 US claimed
US-9452171-B2 Methods of treating disorders associated with protein aggregation University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2016-09-27 US claimed
US-20150265626-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH PROTEIN AGGREGATION UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2015-09-24 US claimed
US-9820990-B2 Methods of treating disorders associated with protein aggregation The University of Pittsburgh—Of the Commonwealth System of Higher Education (US) 2017-11-21 US disclosed
US-20160361319-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH PROTEIN AGGREGATION UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-12-15 US disclosed
US-9072772-B2 Methods of treating disorders associated with protein aggregation University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-07-07 US disclosed
US-20140047569-A9 Methods of Treating Disorders Associated with Protein Aggregation UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-02-13 US disclosed
US-20130024953-A1 Methods of Treating Disorders Associated with Protein Aggregation UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2013-01-24 US disclosed
WO-2011056222-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH PROTEIN AGGREGATION UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-05-12 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 (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-20160361319-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH PROTEIN AGGREGATION HTT, ATIC, API5 FPR2 3801/4885TP53 124/4885NPC1 2163/4885
US-20140047569-A9 Methods of Treating Disorders Associated with Protein Aggregation HTT, ATIC, API5 FPR2 3801/4885TP53 124/4885NPC1 2163/4885
US-20130024953-A1 Methods of Treating Disorders Associated with Protein Aggregation HTT, ATIC, API5 FPR2 3801/4885TP53 124/4885NPC1 2163/4885
US-20150265626-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH PROTEIN AGGREGATION HTT, ATIC, API5 FPR2 3801/4885TP53 124/4885NPC1 2163/4885

“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.