SCHEMBL939595

SCHEMBL939595

COc1cc(C)c(S(=O)(=O)N(C)Cc2nc3cccc(CC(=O)O)c3[nH]2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BDKRB1 P46663 4/20 0.38
STING1 Q86WV6 1/20 0.38
TSHR P16473 1/20 0.37
KEAP1 Q14145 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
USP2 O75604 1/20 0.36
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
MMP16 P51512 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NFE2L2 Q16236 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
SCHEMBL940181 0.91 BDKRB1 (0.39) ALDH1A1LMNASMN1; SMN2BDKRB1TSHR
SCHEMBL939297 0.89 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2BDKRB1TSHR
SCHEMBL938892 0.87 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2BDKRB1TSHR
SCHEMBL941264 0.86 KDM4C (0.41) ALDH1A1LMNASMN1; SMN2BDKRB1TSHR
SCHEMBL11954974 0.85 BDKRB1 (0.38) BDKRB1KEAP1NPC1RAB9AMMP2
SCHEMBL937980 0.83 BDKRB1 (0.38) ALDH1A1LMNABDKRB1TSHRNPC1
SCHEMBL11888787 0.83 BDKRB1 (0.38) ALDH1A1LMNABDKRB1TSHRNPC1
SCHEMBL11947899 0.80 KDM5B (0.38) ALDH1A1LMNABDKRB1TSHRNPC1
SCHEMBL937657 0.80 CYP2D6 (0.44) ALDH1A1SMN1; SMN2BDKRB1TSHR
SCHEMBL11888800 0.79 BDKRB1 (0.40) BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1533/4885LMNA 2065/4885SMN1; SMN2 2944/4885

“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.