SCHEMBL2991806

SCHEMBL2991806

COc1ccc(N(C)C(=O)C(C)(C)N(C(=O)O)C(C)(C)C)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 11/20 0.42
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 4/20 0.35
USP2 O75604 1/20 0.35
BRD4 O60885 1/20 0.34
ACLY P53396 1/20 0.34
LIMK2 P53671 1/20 0.34

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
SCHEMBL2984408 0.88 GHSR (0.43) GHSRKDM4EMAPTRECQLALDH1A1
SCHEMBL13245963 0.88 GHSR (0.44) GHSRKDM4EMAPTRECQLALDH1A1
SCHEMBL4766419 0.83 GHSR (0.45) GHSRKDM4EMAPTRECQLALDH1A1
SCHEMBL2986828 0.80 ALDH1A1 (0.42) GHSRKDM4EMAPTRECQLALDH1A1
SCHEMBL2983496 0.76 ALDH1A1 (0.47) GHSRKDM4EMAPTALDH1A1USP2
SCHEMBL2985998 0.76 GHSR (0.51) GHSRALDH1A1
SCHEMBL2994636 0.75 ALDH1A1 (0.45) GHSRKDM4EMAPTALDH1A1USP2
Hydrochloric Acid SCHEMBL4664002 0.75 GHSR (0.44) GHSRKDM4EMAPTRECQLALDH1A1
SCHEMBL13245951 0.75 ALDH1A1 (0.46) GHSRKDM4EMAPTALDH1A1USP2
SCHEMBL2987863 0.75 ALDH1A1 (0.41) GHSRKDM4EMAPTALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179168-A1 ARYL AND HETEROARYL SULPHONAMIDES AS GROWTH HORMONE SECRETAGOGUE RECEPTOR AGONISTS BLANEY EMMA LOUISE 2010-07-15 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-20100179168-A1 ARYL AND HETEROARYL SULPHONAMIDES AS GROWTH HORMONE SECRETAGOGUE RECEPTOR AGONISTS GHSR, GHRHR, GIPR GHSR 1/4885KDM4E 3009/4885MAPT 4610/4885

“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.