SCHEMBL16738129

SCHEMBL16738129

CCc1c(C(=O)Nc2cc(C(F)(F)F)cnc2O)ccc(S)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NTRK1 P04629 3/20 0.38
TACR1 P25103 2/20 0.38
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ACLY P53396 1/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
SORT1 Q99523 1/20 0.37
HPGD P15428 1/20 0.37
USP2 O75604 3/20 0.36
USP8 P40818 3/20 0.36
RXFP1 Q9HBX9 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL16667183 0.75 ALDH1A1 (0.43) ALDH1A1NTRK1TACR1KDM4EHTT
SCHEMBL9952069 0.74 HSD17B10 (0.50) ALDH1A1KDM4EHPGDRXFP1
SCHEMBL1023141 0.73 P2RX1 (0.48) JUNNFKB1NFKB2RELASORT1
SCHEMBL9952720 0.71 RXFP1 (0.43) ALDH1A1KDM4EHPGDRXFP1MEN1
SCHEMBL16611866 0.70 ALDH1A1 (0.44) ALDH1A1CYP2C19KDM4EHPGDRXFP1
SCHEMBL27843546 0.69 MAPT (0.41) ALDH1A1CYP2C9CYP2C19JUNNFKB1
SCHEMBL1023074 0.69 P2RX1 (0.50) GAASORT1RXFP1KMT2A
SCHEMBL1074527 0.68 P2RX1 (0.45) ALDH1A1RXFP1KMT2A
SCHEMBL1026546 0.68 LRRK2 (0.56) NTRK1GAA
SCHEMBL9276856 0.68 SMN1; SMN2 (0.37) ALDH1A1CYP2C9CYP2C19JUNNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-28 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-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SFXN1, OSR1, PIR ALDH1A1 2709/4885CYP2C9 1378/4885CYP2C19 1881/4885

“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.