SCHEMBL3362259

SCHEMBL3362259

CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)c1c(CN)c2ccccc2oc1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 10/20 0.39
▸ OPRM1 P35372 3/20 0.39
▸ PTGS2 P35354 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ PSMB2 P49721 1/20 0.37
▸ ERAP2 Q6P179 1/20 0.36
▸ ERAP1 Q9NZ08 1/20 0.36
▸ LNPEP Q9UIQ6 1/20 0.36
▸ REN P00797 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ GHSR Q92847 1/20 0.33

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
SCHEMBL3362251 1.00 OPRK1 (0.39) OPRK1OPRM1PTGS2PSMB5PSMB2
SCHEMBL9580910 0.85 OPRK1 (0.37) OPRK1OPRM1PTGS2PSMB5PSMB2
SCHEMBL3362211 0.80 SRC (0.37) OPRK1OPRM1PSMB5PSMB2ERAP2
SCHEMBL3362223 0.80 SRC (0.37) OPRK1OPRM1PSMB5PSMB2ERAP2
SCHEMBL3362254 0.77 PTGS2 (0.44) OPRK1OPRM1PTGS2PSMB5PSMB2
SCHEMBL5180148 0.76 TAS1R3 (0.40) OPRK1OPRM1RENCTSBCTSS
SCHEMBL11457194 0.75 ERAP2 (0.38) OPRK1OPRM1PSMB5PSMB2ERAP2
SCHEMBL11319976 0.71 REN (0.43) OPRK1OPRM1PSMB5ERAP2ERAP1
SCHEMBL11298517 0.71 ERAP2 (0.50) OPRK1OPRM1ERAP2ERAP1LNPEP
Hydrochloric Acid SCHEMBL11402893 0.71 REN (0.43) OPRK1OPRM1PSMB5ERAP2ERAP1

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
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 — — US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 — — US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 — — WO 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 (2 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A OPRK1 93/4885OPRM1 196/4885PTGS2 4620/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 OPRK1 2631/4885OPRM1 3591/4885PTGS2 2755/4885

“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.

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