SCHEMBL7183116

SCHEMBL7183116

CCOC(=S)N(c1ccc(O)cc1)c1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.41
ESR2 Q92731 6/20 0.41
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA7 P43166 5/20 0.41
CA9 Q16790 5/20 0.41
CA14 Q9ULX7 5/20 0.41
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
CA3 P07451 1/20 0.35
TYR P14679 1/20 0.35
DRD1 P21728 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
TSHR P16473 2/20 0.34

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
SCHEMBL7195265 0.94 HRH3 (0.37) HRH3TSHRALDH1A1HCAR3LMNA
SCHEMBL7185632 0.90 POLB (0.40) ESR1ESR2TDP1POLBL3MBTL1
SCHEMBL7192752 0.88 ESR1 (0.43) ESR1ESR2CA12CA1CA2
SCHEMBL7191776 0.87 ALDH1A1 (0.39) ESR1ESR2TDP1POLBL3MBTL1
SCHEMBL7191778 0.84 CA12 (0.42) ESR1ESR2CA12CA1CA2
SCHEMBL7183302 0.81 MEN1 (0.40) POLBTSHRALDH1A1LMNAMEN1
SCHEMBL7191598 0.81 HRH3 (0.39) HRH3TSHRALDH1A1HCAR3MEN1
SCHEMBL7184680 0.78 POLB (0.41) ESR1ESR2TDP1POLBL3MBTL1
SCHEMBL7187574 0.77 CA12 (0.42) ESR1ESR2CA12CA1CA2
SCHEMBL7190201 0.76 ALDH1A1 (0.39) POLBL3MBTL1ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 US disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 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 (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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 ESR1 4390/4885ESR2 4128/4885CA12 3997/4885

“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.