SCHEMBL2132516

SCHEMBL2132516

CCOC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]1C(=O)N2C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CASP3 P42574 1/20 0.30

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
SCHEMBL2130720 1.00 POLB (0.32) POLBADRB3ADRA2BADRA2CSMN1; SMN2
SCHEMBL2132521 1.00 POLB (0.32) POLBADRB3ADRA2BADRA2CSMN1; SMN2
SCHEMBL2130717 1.00 POLB (0.32) POLBADRB3ADRA2BADRA2CSMN1; SMN2
SCHEMBL12792428 0.87 ADRB3 (0.40) POLBADRB3ADRA2BADRA2CSMN1; SMN2
SCHEMBL21508602 0.82 FPR2 (0.34) ADRB3ADRA2BADRA2C
SCHEMBL497360 0.81 ADRB3 (0.31) ADRB3ADRA2BADRA2C
SCHEMBL12618543 0.79 ADRB3 (0.38) ADRB3ADRA2BADRA2C
SCHEMBL10009466 0.78 ADRB3 (0.43) POLBADRB3ADRA2BADRA2CSMN1; SMN2
SCHEMBL10009462 0.78 ADRB3 (0.43) POLBADRB3ADRA2BADRA2CSMN1; SMN2
SCHEMBL497209 0.77 ADRB3 (0.31) ADRB3ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493506-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-11-15 — — US disclosed
US-20140287992-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES 2014-09-25 — — US disclosed
US-8748374-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE, INC. (US) 2014-06-10 — — US disclosed
US-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-04-26 — — 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 (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-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 POLB 4709/4885ADRB3 3933/4885ADRA2B 4558/4885
US-20140287992-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 POLB 4709/4885ADRB3 3933/4885ADRA2B 4558/4885

“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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