SCHEMBL1094789

SCHEMBL1094789

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O)S(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.67
ABCB11 O95342 1/20 0.67
LMNA P02545 1/20 0.67
CTSD P07339 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP3A5 P20815 1/20 0.67
CNR1 P21554 1/20 0.67
TBXAS1 P24557 1/20 0.67
ADRA1A P35348 1/20 0.67
ABCB1 P08183 1/20 0.62
KCNE1 P15382 1/20 0.62
KCNQ1 P51787 1/20 0.62
KCNH2 Q12809 1/20 0.62
SCN5A Q14524 1/20 0.62
KCND3 Q9UK17 1/20 0.62
SPPL2A Q8TCT8 2/20 0.60

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
SCHEMBL3471631 1.00 MLNR (0.67) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL3652143 1.00 MLNR (0.67) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL1094790 1.00 MLNR (0.67) MLNRABCB11LMNACTSDCYP3A4
Alcohol SCHEMBL2969860 0.97 MLNR (0.64) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL6525403 0.93 SPPL2A (0.61) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL12020180 0.92 SPPL2A (0.58) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL3309955 0.92 MLNR (0.58) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL15737599 0.92 SPPL2A (0.60) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL9223590 0.92 SPPL2A (0.62) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL4346692 0.91 MLNR (0.60) MLNRABCB11LMNACTSDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314591-B2 Pseudopolymorphic forms of a hiv protease inhibitor JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-02-24 EP claimed
EP-1567529-B2 PSEUDOPOLYMORPHIC FORMS OF A HIV PROTEASE INHIBITOR JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-02-24 EP claimed
EP-2767539-B1 Pseudopolymorphic forms of a HIV protease inhibitor JANSSEN SCIENCES IRELAND UC (IE) 2017-07-12 EP claimed
EP-1567529-B1 PSEUDOPOLYMORPHIC FORMS OF A HIV PROTEASE INHIBITOR JANSSEN R & D IRELAND (IE) 2014-06-18 EP claimed
EP-2314591-B1 Pseudopolymorphic forms of a hiv protease inhibitor JANSSEN R & D IRELAND (IE) 2014-06-18 EP claimed
US-8518987-B2 Pseudopolymorphic forms of a HIV protease inhibitor JANSSEN R&D IRELAND (IE) 2013-08-27 US claimed
US-20100204316-A1 PSEUDOPOLYMORPHIC FORMS OF A HIV PROTEASE INHIBITOR Janssen Sciences Ireland Unlimited Company (IE) 2010-08-12 US claimed
US-12564595-B2 Prophylactic and therapeutic pharmaceutical agent for HIV infectious diseases characterized by comprising combination of integrase inhibitor and anti-HIV agent SHIONOGI & CO., LTD. (JP) 2026-03-03 US disclosed
EP-3795572-B1 DARUNAVIR PROPIONATE SOLVATE LAURUS LABS LTD (IN) 2023-11-15 EP disclosed
US-20230302024-A1 DARUNAVIR COMBINATION FORMULATIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2023-09-28 US disclosed
US-20230248712-A1 METHODS AND COMPOSITIONS FOR TREATING RNA VIRAL INFECTIONS MODEL MEDICINES, INC. 2023-08-10 US disclosed
US-11654150-B2 Darunavir combination formulations JANSSEN SCIENCES IRELAND UC (IE) 2023-05-23 US disclosed
US-20230059640-A1 PROPHYLACTIC AND THERAPEUTIC PHARMACEUTICAL AGENT FOR HIV INFECTIOUS DISEASES CHARACTERIZED BY COMPRISING COMBINATION OF INTEGRASE INHIBITOR AND ANTI-HIV AGENT SHIONOGI & CO., LTD. (JP) 2023-02-23 US disclosed
US-20070060642-A1 Process for the preparation of (3r,3as,6ar)-hexahydrofuro [2,3-b] furan-3-yl (1s,2r)-3-[[(4-aminophenyl) sulfonyl] (isobutyl) amino]-1-benzyl-2-hydroxypropylcarbamate JANSSEN SCIENCES IRELAND UC (IE) 2007-03-15 US disclosed
US-20050250845-A1 Pseudopolymorphic forms of a hiv protease inhibitor TIBOTEC PARMACEUTICEALS 2005-11-10 US disclosed
CN-1668623-A Pseudopolymorphic forms of a HIV protease inhibitor TIBOTEC PHARM LTD (IE) 2005-09-14 CN disclosed
EP-1567529-A2 PSEUDOPOLYMORPHIC FORMS OF A HIV PROTEASE INHIBITOR Tibotec Pharmaceuticals Ltd. (IE) 2005-08-31 EP disclosed
US-20040116485-A1 Broad spectrum 2-(substituted-amino)-benzothiazole sulfonamide hiv protease inhibitors TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-06-17 US disclosed
WO-2003106461-A3 PSEUDOPOLYMORPHIC FORMS OF A HIV PROTEASE INHIBITOR TIBOTEC PHARM LTD (IE) 2004-05-13 WO disclosed
WO-2003106461-A2 PSEUDOPOLYMORPHIC FORMS OF A HIV PROTEASE INHIBITOR TIBOTEC PHARMACEUTICALS LTD (IE) 2003-12-24 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-20100204316-A1 PSEUDOPOLYMORPHIC FORMS OF A HIV PROTEASE INHIBITOR PRSS1, PRSS3, DNPEP MLNR 3629/4885ABCB11 2707/4885LMNA 4203/4885
US-12564595-B2 Prophylactic and therapeutic pharmaceutical agent for HIV infectious diseases characterized by comprising combination of integrase inhibitor and anti-HIV agent RPL35, RPL7, TYMP MLNR 2103/4885ABCB11 441/4885LMNA 2728/4885
US-20050250845-A1 Pseudopolymorphic forms of a hiv protease inhibitor PRSS1, PRSS3, DNPEP MLNR 3629/4885ABCB11 2707/4885LMNA 4203/4885
US-20230302024-A1 DARUNAVIR COMBINATION FORMULATIONS SAMHD1, DARS1, SRI MLNR 1866/4885ABCB11 39/4885LMNA 3979/4885
US-20070060642-A1 Process for the preparation of (3r,3as,6ar)-hexahydrofuro [2,3-b] furan-3-yl (1s,2r)-3-[[(4-aminophenyl) sulfonyl] (isobutyl) amino]-1-benzyl-2-hydroxypropylcarbamate HPD, HTR3C, HAAO MLNR 2506/4885ABCB11 1831/4885LMNA 3850/4885
US-20230059640-A1 PROPHYLACTIC AND THERAPEUTIC PHARMACEUTICAL AGENT FOR HIV INFECTIOUS DISEASES CHARACTERIZED BY COMPRISING COMBINATION OF INTEGRASE INHIBITOR AND ANTI-HIV AGENT NHERF1, INO80C, IMPA1 MLNR 3735/4885ABCB11 13/4885LMNA 2425/4885
US-11654150-B2 Darunavir combination formulations SAMHD1, DARS1, SRI MLNR 1465/4885ABCB11 60/4885LMNA 4228/4885

“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.