SCHEMBL3373334

SCHEMBL3373334

CC1(OC(=O)Oc2ccc([N+](=O)[O-])cc2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.51
▸ HTR2A P28223 1/20 0.49
▸ BCL9 O00512 1/20 0.49
▸ CTNNB1 P35222 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ THRB P10828 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ MGLL Q99685 2/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL14974562 0.99 GAA (0.50) GAAHTR2ABCL9CTNNB1SMN1; SMN2
SCHEMBL288509 0.97 GAA (0.51) GAAHTR2ABCL9CTNNB1SMN1; SMN2
SCHEMBL287764 0.94 GAA (0.54) GAAHTR2ABCL9CTNNB1SMN1; SMN2
SCHEMBL14975215 0.87 GAA (0.48) GAAHTR2ABCL9CTNNB1SMN1; SMN2
SCHEMBL15232712 0.84 GAA (0.50) GAAHTR2ABCL9CTNNB1SMN1; SMN2
SCHEMBL29716297 0.83 BCL9 (0.51) GAAHTR2ABCL9CTNNB1SMN1; SMN2
SCHEMBL29880603 0.82 ALDH1A1 (0.48) GAAHTR2ABCL9CTNNB1SMN1; SMN2
SCHEMBL28577545 0.81 THRB (0.45) GAAHTR2ABCL9CTNNB1SMN1; SMN2
SCHEMBL3373666 0.81 GAA (0.43) GAAHTR2ABCL9CTNNB1SMN1; SMN2
SCHEMBL13883549 0.80 LMNA (0.46) GAAALDH1A1KMT2ACYP1A2LMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441762-B2 Hepatitis c virus NS3/4A protease inhibitors UNIVERSITY OF MASSACHUSETTS (US) 2025-10-14 — — US disclosed
US-20230099018-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIV MASSACHUSETTS (US) 2023-03-30 — — US disclosed
US-11472778-B2 Hepatitis C virus NS3/4A protease inhibitors UNIVERSITY OF MASSACHUSETTS (US) 2022-10-18 — — US disclosed
US-20220227806-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIV MASSACHUSETTS (US) 2022-07-21 — — US disclosed
US-8987195-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 — — US disclosed
US-8987195-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 — — US disclosed
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 — — US disclosed
US-20140057836-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-02-27 — — US disclosed
US-20140057836-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-02-27 — — US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 — — US disclosed
WO-2014025736-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-02-13 — — WO disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 — — US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 — — US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 — — US disclosed
EP-2162432-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 — — EP disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 — — US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 — — US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 — — US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 — — WO disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 — — 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 (7 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-11472778-B2 Hepatitis C virus NS3/4A protease inhibitors HAVCR2, CTSC, DPP4 GAA 294/4885HTR2A 3305/4885BCL9 807/4885
US-20140057836-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, TMPRSS15, CTSC GAA 484/4885HTR2A 2976/4885BCL9 497/4885
US-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 GAA 151/4885HTR2A 4623/4885BCL9 2453/4885
US-12441762-B2 Hepatitis c virus NS3/4A protease inhibitors HAVCR2, CTSC, DPP4 GAA 294/4885HTR2A 3305/4885BCL9 807/4885
US-20220227806-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS HAVCR2, CTSC, DPP4 GAA 294/4885HTR2A 3305/4885BCL9 807/4885
US-20230099018-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS HAVCR2, CTSC, DPP4 GAA 294/4885HTR2A 3305/4885BCL9 807/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GAA 151/4885HTR2A 4623/4885BCL9 2453/4885

“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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