SCHEMBL14628665

SCHEMBL14628665

Cc1ccc2nc(N[SH](=O)=O)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.57
RAB9A P51151 3/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 1/20 0.54
GFER P55789 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HIF1A Q16665 1/20 0.54
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53
TUBA3E Q6PEY2 1/20 0.53
TUBA1A Q71U36 1/20 0.53
TUBA1C Q9BQE3 1/20 0.53
TUBB6 Q9BUF5 1/20 0.53

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
SCHEMBL12331846 0.80 ADORA2A (0.64) ADORA2ARAB9AHTTLMNAGFER
Hydrochloric Acid SCHEMBL20291496 0.78 ADORA2A (0.62) ADORA2ARAB9AHTTLMNAGFER
SCHEMBL8733213 0.78 ADORA2A (0.62) ADORA2ARAB9AHTTLMNAGFER
SCHEMBL9719981 0.77 TUBB4A (0.68) ADORA2ARAB9AHTTLMNAGFER
SCHEMBL14189691 0.77 ADORA2A (0.57) ADORA2ARAB9AHTTLMNAGFER
SCHEMBL8029056 0.76 TUBB4A (0.67) ADORA2ARAB9AHTTLMNAGFER
SCHEMBL8019524 0.76 ADORA2A (0.56) ADORA2ARAB9AHTTLMNAGFER
SCHEMBL15401044 0.76 CYP3A4 (0.56) ADORA2ARAB9ALMNASMN1; SMN2HSD17B10
SCHEMBL15450949 0.75 RAB9A (0.67) ADORA2ARAB9AHTTLMNAGFER
SCHEMBL14189686 0.75 TUBB4A (0.65) ADORA2ARAB9AHTTLMNAGFER

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-7161033-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2007-01-09 US disclosed
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-01-04 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-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP ADORA2A 4015/4885RAB9A 2317/4885HTT 389/4885

“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.