SCHEMBL15957892

SCHEMBL15957892

Cc1cc(N)cc(C(O)(C(F)(F)F)C(F)(F)F)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AR P10275 3/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 2/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
ALOX15 P16050 1/20 0.35
PGK1 P00558 1/20 0.32

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
SCHEMBL15957700 0.83 AR (0.40) SMN1; SMN2ARTSHRALDH1A1GLA
SCHEMBL15958204 0.80 MEN1 (0.49) SMN1; SMN2MEN1KMT2AMAPK1AR
SCHEMBL12816383 0.79 TSHR (0.45) MEN1KMT2AKDM4EMAPTMAPK1
SCHEMBL15957881 0.78 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL13199193 0.78 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL7099525 0.77 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL13199112 0.76 PGK1 (0.32) TSHRALDH1A1GLAPOLBGAA
SCHEMBL17875401 0.76 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL13199118 0.73 TPMT (0.39) SMN1; SMN2ARTSHRHSD17B10ALOX15
SCHEMBL10036533 0.72 MEN1 (0.50) SMN1; SMN2MEN1KMT2AKDM4EMAPT

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-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 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-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom MCCC2, AFF2, F13A1 SMN1; SMN2 3546/4885MEN1 1359/4885KMT2A 326/4885

“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.