SCHEMBL15544302

SCHEMBL15544302

O=S(=O)(c1c(Cl)cc(N=C=S)cc1Cl)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL16478277 0.85 TSHR (0.44) TSHRLMNASMN1; SMN2POLBGAA
SCHEMBL1805850 0.77 POLB (0.61) TSHRLMNASMN1; SMN2POLBGAA
SCHEMBL16733792 0.75 OPRM1 (0.50) TSHRLMNASMN1; SMN2POLBGAA
SCHEMBL16458858 0.75 SMN1; SMN2 (0.47) TSHRLMNASMN1; SMN2POLBGAA
SCHEMBL17394413 0.74 USP2 (0.44) LMNASMN1; SMN2POLBGAAMAPT
SCHEMBL5245605 0.68 GAA (0.50) TSHRLMNASMN1; SMN2POLBGAA
SCHEMBL6128170 0.66 KDM4E (0.55) TSHRLMNASMN1; SMN2POLBKMT2A
SCHEMBL6117914 0.65 KDM4E (0.62) TSHRLMNAPOLBGAAMAPT
SCHEMBL15556032 0.64 HTR3E (0.43) TSHRMAPTKDM4ECASP1HSD17B10
SCHEMBL15555806 0.64 CYP2C9 (0.39) TSHRPOLBMAPTCYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
EP-2870143-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. Hoffmann-La Roche AG (CH) 2015-05-13 EP disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 US disclosed
WO-2014006066-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-09 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 (2 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-20150307461-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS TSHR 4602/4885LMNA 3929/4885SMN1; SMN2 2853/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS TSHR 4602/4885LMNA 3929/4885SMN1; SMN2 2853/4885

“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.