SCHEMBL2610949

SCHEMBL2610949

CCOC(=O)[C@]12CC(=O)[C@@H]3C[C@@H](OC(=O)c4ccc([N+](=O)[O-])cc4)CN3C(=O)[C@@H](C)CCCCC/C=C\[C@@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 3/20 0.35
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ NOTCH1 P46531 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ CASP3 P42574 2/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ AR P10275 1/20 0.32
▸ KCNJ1 P48048 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL12730845 0.87 SMN1; SMN2 (0.37) SMN1; SMN2POLBALDH1A1MAPTCCNA2
SCHEMBL12618509 0.83 ADRB3 (0.38) SMN1; SMN2POLBALDH1A1MAPTCCNA2
SCHEMBL12618491 0.83 ADRB3 (0.38) SMN1; SMN2POLBALDH1A1MAPTCCNA2
SCHEMBL12792428 0.76 ADRB3 (0.40) SMN1; SMN2POLBALDH1A1MAPTCCNA2
SCHEMBL2131141 0.75 ALDH1A1 (0.36) SMN1; SMN2POLBALDH1A1MAPTCCNA2
SCHEMBL2131139 0.75 ALDH1A1 (0.36) SMN1; SMN2POLBALDH1A1MAPTCCNA2
SCHEMBL2843887 0.74 POLB (0.37) SMN1; SMN2POLBALDH1A1MAPTCCNA2
SCHEMBL8238400 0.74 POLB (0.37) SMN1; SMN2POLBALDH1A1MAPTCCNA2
SCHEMBL6760115 0.74 POLB (0.37) SMN1; SMN2POLBALDH1A1MAPTCCNA2
SCHEMBL2843889 0.74 POLB (0.37) SMN1; SMN2POLBALDH1A1MAPTCCNA2

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 SMN1; SMN2 4084/4885POLB 4709/4885ALDH1A1 1994/4885
US-20140287992-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 SMN1; SMN2 4084/4885POLB 4709/4885ALDH1A1 1994/4885

“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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