SCHEMBL12190079

SCHEMBL12190079

CC1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)C(C(=O)O)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.53
KDM4E B2RXH2 1/20 0.52
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
DGAT1 O75907 1/20 0.50
EPHX2 P34913 1/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GRIN2B Q13224 1/20 0.48
EGFR P00533 1/20 0.48
ERBB4 Q15303 1/20 0.48
GRK2 P25098 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48

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
SCHEMBL20559230 0.87 PARP1 (0.61) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL20559746 0.87 PARP1 (0.61) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL12835475 0.84 ALDH1A1 (0.64) KDM4ERAB9AMEN1KMT2AHTT
SCHEMBL12172851 0.83 NPSR1 (0.57) KDM4ERAB9AMAPTHTTSMN1; SMN2
SCHEMBL12172809 0.81 GAA (0.55) KDM4ERAB9AKMT2AHTTSMN1; SMN2
SCHEMBL730838 0.81 ALDH1A1 (0.67) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL7829665 0.80 ALDH1A1 (0.70) RAB9AMEN1KMT2AMAPTHTT
SCHEMBL12835032 0.80 KMT2A (0.54) KMT2AMAPTSMN1; SMN2EPHX2ALDH1A1
SCHEMBL12835232 0.80 TDP1 (0.49) KDM4ERAB9AMAPTHTTSMN1; SMN2
SCHEMBL12172899 0.80 SMN1; SMN2 (0.60) KDM4EMEN1KMT2AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-29 US disclosed
US-8859620-B2 Phthalanilate compounds and methods of use UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-10-14 US disclosed
US-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE University of Nortre Dame du Lac 2012-09-13 US disclosed
WO-2011026107-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-03-03 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 (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-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 RXFP1 4515/4885KDM4E 796/4885RAB9A 3788/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 RXFP1 4515/4885KDM4E 796/4885RAB9A 3788/4885

“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.