SCHEMBL3362254

SCHEMBL3362254

CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1cc(=O)oc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.44
▸ OPRK1 P41145 6/20 0.39
▸ OPRM1 P35372 3/20 0.39
▸ REN P00797 2/20 0.39
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ ANPEP P15144 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ NMT2 O60551 1/20 0.36
▸ NMT1 P30419 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ ERAP2 Q6P179 1/20 0.36
▸ ERAP1 Q9NZ08 1/20 0.36
▸ LNPEP Q9UIQ6 1/20 0.36
▸ PSMB1 P20618 1/20 0.35
▸ PSMB8 P28062 1/20 0.35
▸ PSMB9 P28065 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ PSMB10 P40306 1/20 0.35
▸ PSMB2 P49721 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
SCHEMBL5180148 0.85 TAS1R3 (0.40) OPRK1OPRM1RENANPEP
SCHEMBL3362259 0.77 OPRK1 (0.39) PTGS2OPRK1OPRM1RENMMP3
SCHEMBL3362251 0.77 OPRK1 (0.39) PTGS2OPRK1OPRM1RENMMP3
SCHEMBL11457192 0.77 KDM4E (0.46) CA1TDP1
SCHEMBL29565914 0.77 KDM4E (0.46) CA1TDP1
SCHEMBL3362215 0.77 KDM4E (0.46) CA1TDP1
SCHEMBL29565850 0.77 KDM4E (0.46) CA1TDP1
SCHEMBL9580910 0.74 OPRK1 (0.37) PTGS2OPRK1OPRM1RENMMP3
SCHEMBL29566634 0.73 KDM4E (0.41) CA1TDP1
SCHEMBL11298517 0.73 ERAP2 (0.50) OPRK1OPRM1MMP3ERAP2ERAP1

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 PTGS2 4620/4885OPRK1 93/4885OPRM1 196/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 PTGS2 2755/4885OPRK1 2631/4885OPRM1 3591/4885

“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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