SCHEMBL1654641

SCHEMBL1654641

Cc1cc(CS(C)(=O)=O)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.52
BRD4 O60885 2/20 0.47
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
TSHR P16473 2/20 0.45
S100B P04271 1/20 0.40
PTPN1 P18031 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA5A P35218 2/20 0.37
CA9 Q16790 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ESR1 P03372 2/20 0.36
AR P10275 1/20 0.36
ESR2 Q92731 1/20 0.36
G6PD P11413 1/20 0.35
IDE P14735 1/20 0.35
RAD52 P43351 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1736020 0.86 CA2 (0.50) SKP2BRD4ALDH1A1CYP3A4TDP1
SCHEMBL14410521 0.83 LMNA (0.42) BRD4ALDH1A1TDP1PTPN1CA1
SCHEMBL7450435 0.82 CA2 (0.50) SKP2BRD4ALDH1A1TSHRPTPN1
Ammonia Solution, Strong SCHEMBL4821867 0.79 SKP2 (0.56) SKP2BRD4ALDH1A1CYP3A4TDP1
SCHEMBL12158313 0.79 SKP2 (0.44) SKP2BRD4ALDH1A1CYP3A4TDP1
SCHEMBL18398223 0.78 CA1 (0.48) BRD4ALDH1A1PTPN1CA1CA2
SCHEMBL1852602 0.78 CA2 (0.48) SKP2BRD4ALDH1A1CYP3A4TSHR
SCHEMBL9027014 0.77 SKP2 (0.57) SKP2ALDH1A1CYP3A4TDP1TSHR
SCHEMBL31634603 0.76 SKP2 (0.73) SKP2ALDH1A1CYP3A4TDP1TSHR
SCHEMBL841783 0.76 SKP2 (0.73) SKP2ALDH1A1CYP3A4TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 US disclosed
US-9572792-B2 Coumarin compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2017-02-21 US disclosed
US-20150265573-A1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. 2015-09-24 US disclosed
US-9073888-B2 Coumarin compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2015-07-07 US disclosed
EP-2491023-B1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN INC (US) 2014-12-31 EP disclosed
US-20120328661-A1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2012-12-27 US disclosed
EP-2491023-A2 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY Allergan, Inc. (US) 2012-08-29 EP disclosed
US-8013159-B2 Quinoline derivatives as EP4 antagonists MERCK CANADA INC. (CA) 2011-09-06 US disclosed
WO-2011050054-A2 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2011-04-28 WO disclosed
US-20090099226-A1 Quinoline derivatives as ep4 antagonists MERCK CANADA INC. (CA) 2009-04-16 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 (4 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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF MYC, BRD1, BRD3 SKP2 1282/4885BRD4 7/4885ALDH1A1 4457/4885
US-20150265573-A1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR3, S1PR1, S1PR2 SKP2 2524/4885BRD4 1319/4885ALDH1A1 2558/4885
US-20090099226-A1 Quinoline derivatives as ep4 antagonists PTGER4, PTGER1, PTGER3 SKP2 1254/4885BRD4 135/4885ALDH1A1 2357/4885
US-20120328661-A1 COUMARIN COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR3, S1PR1, S1PR2 SKP2 2524/4885BRD4 1319/4885ALDH1A1 2558/4885

“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.