Sugi Predict

Sugi Predict / Compounds / SCHEMBL1006418

SCHEMBL1006418

SCHEMBL1006418

CN(Cc1nc2ccc(C(=O)O)cc2[nH]1)S(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ APEX1 P27695 1/20 0.46
▸ TOP2A P11388 1/20 0.45
▸ CHEK2 O96017 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ CACNA1H O95180 1/20 0.40
▸ ALKBH2 Q6NS38 1/20 0.40
▸ ALKBH3 Q96Q83 1/20 0.40
▸ FTO Q9C0B1 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL938746 0.90 KDM4E (0.52) SMN1; SMN2CHEK2ALDH1A1MAPK1TDP1
SCHEMBL938694 0.84 NPSR1 (0.49) NPSR1APEX1TOP2ACHEK2ALDH1A1
SCHEMBL938603 0.80 KMT2A (0.41) ALDH1A1TDP1HDAC6CACNA1H
SCHEMBL939818 0.79 CYP3A4 (0.47) SMN1; SMN2ALDH1A1MAPK1
SCHEMBL11947901 0.77 NPSR1 (0.47) NPSR1SMN1; SMN2APEX1TOP2ACHEK2
SCHEMBL11947876 0.77 KDM4E (0.49) SMN1; SMN2CHEK2ALDH1A1MAPK1HDAC6
SCHEMBL938645 0.75 NPSR1 (0.50) NPSR1SMN1; SMN2APEX1TOP2ACHEK2
SCHEMBL941269 0.75 NPSR1 (0.47) NPSR1SMN1; SMN2APEX1TOP2ACHEK2
SCHEMBL939207 0.74 MAPT (0.47) SMN1; SMN2CHEK2ALDH1A1MAPK1HDAC6
SCHEMBL938412 0.74 BDKRB1 (0.38) ALDH1A1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440542-B1 Substituted benzimidazoles, benzonthiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2013-12-18 — — EP disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 — — US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 — — US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 — — US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 — — US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 — — US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 — — 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-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 NPSR1 228/4885SMN1; SMN2 2944/4885APEX1 3873/4885

“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.