SCHEMBL415457

SCHEMBL415457

Nc1ccc(Cl)c(SC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 4/20 0.46
CYP3A4 P08684 3/20 0.46
PDE7A Q13946 1/20 0.40
ITGB2 P05107 2/20 0.39
ICAM1 P05362 2/20 0.39
ITGAL P20701 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
HSD11B1 P28845 2/20 0.34
ALOX15 P16050 2/20 0.33
KCNN4 O15554 1/20 0.33
LDHA P00338 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL30875154 0.84 PDE7A (0.53) ALDH1A1TDP1KDM4ETSHRCYP3A4
SCHEMBL1403756 0.84 PDE7A (0.53) ALDH1A1TDP1KDM4ETSHRCYP3A4
SCHEMBL17378569 0.79 TP53 (0.42) ALDH1A1TDP1TSHRCYP3A4ALOX15
SCHEMBL9404028 0.78 KDM4E (0.48) ALDH1A1TDP1KDM4ETSHRITGB2
SCHEMBL30388287 0.76 CYP3A4 (0.56) ALDH1A1TDP1TSHRCYP3A4PDE7A
SCHEMBL15072465 0.76 CYP3A4 (0.56) ALDH1A1TDP1TSHRCYP3A4PDE7A
SCHEMBL16976330 0.76 PDK1 (0.37) ALDH1A1POLBGAAHSD11B1ALOX15
SCHEMBL11743102 0.76 ALDH1A1 (0.47) ALDH1A1TDP1KDM4ETSHRPOLB
SCHEMBL16555673 0.76 PDE2A (0.41) ALDH1A1TSHR
SCHEMBL9404029 0.76 KDM4E (0.47) ALDH1A1TDP1KDM4ETSHRPDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
EP-2408742-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-01-25 EP disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 WO disclosed
EP-0962450-B1 Process for the preparation of perfluoalkylaryl sulfides BAYER AG (DE) 2003-01-08 EP disclosed
US-6175042-B1 A CHEMICAL INTERMEDIATE FOR AGROCHEMICALS, PHARMACEUTICALS, DYES, AND POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 2001-01-16 US disclosed
EP-0962450-A1 Process for the preparation of perfluoalkylaryl sulfides and perfluoroalkylaryl sulfides per se Bayer Aktiengesellschaft (DE) 1999-12-08 EP 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO ALDH1A1 864/4885TDP1 4253/4885KDM4E 2245/4885

“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.