SCHEMBL4373557

SCHEMBL4373557

CC(C)CNS(=O)(=O)c1ccccc1CC(O)C(N)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ LAP3 P28838 4/20 0.42
▸ ANPEP P15144 1/20 0.42
▸ RNPEP Q9H4A4 1/20 0.42
▸ DNPEP Q9ULA0 1/20 0.42
▸ SPPL2A Q8TCT8 1/20 0.41
▸ CSNK1E P49674 1/20 0.40
▸ PTGES2 Q9H7Z7 1/20 0.40
▸ GBA1 P04062 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ PDK1 Q15118 1/20 0.38
▸ PDK2 Q15119 1/20 0.38

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
SCHEMBL6066041 1.00 F2 (0.51) F2ALDH1A1CA12CA2CA7
SCHEMBL30718534 0.88 F2 (0.49) F2ALDH1A1CA12CA2CA7
SCHEMBL30718508 0.87 F2 (0.48) F2ALDH1A1CA12CA2CA7
SCHEMBL30718544 0.86 F2 (0.47) F2ALDH1A1CA12CA2CA7
SCHEMBL29913751 0.85 F2 (0.52) F2ALDH1A1CA12CA2CA7
SCHEMBL29913761 0.84 F2 (0.48) F2ALDH1A1CA2SPPL2A
SCHEMBL29913816 0.84 F2 (0.46) F2ALDH1A1CA12CA2CA7
SCHEMBL30718528 0.83 F2 (0.45) F2ALDH1A1CA12CA2CA7
SCHEMBL29913880 0.81 F2 (0.49) F2LAP3ANPEPRNPEPDNPEP
SCHEMBL8178414 0.79 F2 (0.54) F2ALDH1A1CA12CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2877474-B1 A PROCESS FOR PREPARATION OF DARUNAVIR LAURUS LABS LTD (IN) 2020-11-04 — — EP claimed
EP-2877474-A2 A PROCESS FOR PREPARATION OF DARUNAVIR Laurus Labs Private Limited (IN) 2015-06-03 — — EP claimed
WO-2014016660-A2 A PROCESS FOR PREPARATION OF DARUNAVIR LAURUS LABS PRIVATE LIMITED (IN) 2014-01-30 — — WO claimed
EP-3795572-B1 DARUNAVIR PROPIONATE SOLVATE LAURUS LABS LTD (IN) 2023-11-15 — — EP disclosed
EP-3795572-A1 DARUNAVIR PROPIONATE SOLVATE Laurus Labs Limited (IN) 2021-03-24 — — EP disclosed
EP-2877474-B1 A PROCESS FOR PREPARATION OF DARUNAVIR LAURUS LABS LTD (IN) 2020-11-04 — — EP disclosed
EP-2477992-B1 PROCESSES FOR THE PREPARATION OF DARUNAVIR AND THE AMORPHOUS FORM THEREOF MYLAN LABORATORIES LTD (IN) 2016-12-14 — — EP disclosed
US-20160355525-A1 PROCESS FOR PREPARATION OF DARUNAVIR LAURUS LABS LIMITED (IN) 2016-12-08 — — US disclosed
EP-2877474-A2 A PROCESS FOR PREPARATION OF DARUNAVIR Laurus Labs Private Limited (IN) 2015-06-03 — — EP disclosed
US-8703980-B2 Process for the preparation of darunavir TIANISH LABORATORIES PRIVATE LIMITED (IN) 2014-04-22 — — US disclosed
WO-2014016660-A2 A PROCESS FOR PREPARATION OF DARUNAVIR LAURUS LABS PRIVATE LIMITED (IN) 2014-01-30 — — WO disclosed
WO-2013114382-A1 CRYSTALLINE DARUNAVIR MYLAN LABORATORIES LTD (IN) 2013-08-08 — — WO disclosed
WO-2013011485-A1 PROCESS FOR THE PREPARATION OF SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2013-01-24 — — WO disclosed
EP-1725566-B1 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 TIBOTEC PHARM LTD (IE) 2009-06-17 — — EP disclosed
EP-1725566-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 Tibotec Pharmaceuticals Ltd. (IE) 2006-11-29 — — EP disclosed
WO-2005063770-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 TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-07-14 — — 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 (1 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-20160355525-A1 PROCESS FOR PREPARATION OF DARUNAVIR SAMHD1, CYP3A5, DARS1 F2 3943/4885ALDH1A1 1810/4885CA12 4125/4885

“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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