SCHEMBL5312993

SCHEMBL5312993

CCOC(=O)C(Cc1ccc(C(C)(C)C)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.50
CTSK P43235 5/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ACE P12821 1/20 0.47
KLK5 Q9Y337 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL20045974 0.90 PPARG (0.53) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL18256512 0.90 MEN1 (0.57) CTSSCTSKALDH1A1CTSLCTSB
SCHEMBL14803767 0.90 PPARG (0.53) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL8905431 0.88 CYP1A2 (0.45) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL8905435 0.88 CYP1A2 (0.45) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL7260689 0.88 CTSS (0.63) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL920111 0.88 CTSS (0.63) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL5154519 0.88 CTSS (0.47) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL8905018 0.87 REN (0.44) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL8905013 0.87 REN (0.44) CTSSCTSKCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007047575-A2 PHARMACOLOGICAL TREATMENTS FOR SLEEP-RELATED BREATHING DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-04-26 WO disclosed
US-6872748-B2 Simplified resiniferatoxin analogues as vanilloid receptor agonist showing excellent analgesic activity and the pharmaceutical compositions containing the same DIGITAL BIOTECH CO., LTD. (KR) 2005-03-29 US disclosed
US-20040063786-A1 Simplified resiniferatoxin analogues as vanilloid receptor agonist showing excellent analgesic activity and the pharmaceutical compositions containing the same MEDIFRON DBT CO., LTD. (KR) 2004-04-01 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-20040063786-A1 Simplified resiniferatoxin analogues as vanilloid receptor agonist showing excellent analgesic activity and the pharmaceutical compositions containing the same TRPV1, OPRL1, GPR180 CTSS 1127/4885CTSK 1745/4885CYP1A2 1794/4885

“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.