SCHEMBL18135096

SCHEMBL18135096

O=C(NO)c1cc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)ccn1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ GRM4 Q14833 5/20 0.45
▸ ANO1 Q5XXA6 10/20 0.42
▸ ERCC1 P07992 1/20 0.42
▸ ERCC4 Q92889 1/20 0.42
▸ HDAC8 Q9BY41 2/20 0.41

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
SCHEMBL14882688 0.87 KDM4E (0.53) TSHRGRM4ANO1
Hydrochloric Acid SCHEMBL14876429 0.86 KDM4E (0.52) TSHRGRM4ANO1
SCHEMBL14882735 0.85 ALDH1A1 (0.52) GRM4ANO1HDAC8
Hydrochloric Acid SCHEMBL14876192 0.84 ALDH1A1 (0.51) GRM4ANO1HDAC8
SCHEMBL14882576 0.83 ANO1 (0.43) TSHRGRM4ANO1
SCHEMBL14882742 0.82 ANO1 (0.47) ANO1HDAC8
Hydrochloric Acid SCHEMBL14876376 0.82 ANO1 (0.42) TSHRGRM4ANO1
SCHEMBL14882770 0.82 ANO1 (0.50) GRM4ANO1HDAC8
Hydrochloric Acid SCHEMBL14875722 0.81 ANO1 (0.47) ANO1HDAC8
Hydrochloric Acid SCHEMBL14875798 0.81 ANO1 (0.49) GRM4ANO1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2016-10-13 — — US disclosed
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2016-10-13 — — 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-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease ALAD, CYP27A1, FAH TSHR 2708/4885GRM4 3143/4885ANO1 4446/4885

“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.

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