SCHEMBL608142

SCHEMBL608142

CC(C)CN(CC(O)C(N)Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 3/20 0.74
MLNR O43193 1/20 0.57
ABCB11 O95342 1/20 0.57
LMNA P02545 1/20 0.57
CTSD P07339 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP3A5 P20815 1/20 0.57
CNR1 P21554 1/20 0.57
TBXAS1 P24557 1/20 0.57
ADRA1A P35348 1/20 0.57
ABCB1 P08183 1/20 0.53
KCNE1 P15382 1/20 0.53
KCNQ1 P51787 1/20 0.53
KCNH2 Q12809 1/20 0.53
SCN5A Q14524 1/20 0.53
KCND3 Q9UK17 1/20 0.53
PSEN1 P49768 1/20 0.53
PSEN2 P49810 1/20 0.53
APH1B Q8WW43 1/20 0.53
NCSTN Q92542 1/20 0.53

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
SCHEMBL1051190 1.00 SPPL2A (0.74) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL9605440 1.00 SPPL2A (0.74) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL10031792 1.00 SPPL2A (0.74) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL23129692 1.00 SPPL2A (0.74) SPPL2AMLNRABCB11LMNACTSD
Hydrochloric Acid SCHEMBL14637729 0.99 SPPL2A (0.73) SPPL2AMLNRABCB11LMNACTSD
Hydrochloric Acid SCHEMBL14636197 0.99 SPPL2A (0.73) SPPL2AMLNRABCB11LMNACTSD
Sulfuric Acid SCHEMBL18281506 0.98 SPPL2A (0.72) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL4373559 0.94 SPPL2A (0.76) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL4911140 0.94 SPPL2A (0.76) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL1054059 0.92 SPPL2A (0.73) SPPL2AMLNRABCB11LMNACTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427599-B2 Simplified procedure for the preparation of darunavir Janssen Sciences Ireland Unlimited Company (IE) 2022-08-30 US claimed
US-20210139495-A1 SIMPLIFIED PROCEDURE FOR THE PREPARATION OF DARUNAVIR JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-05-13 US claimed
EP-3541819-B1 A SIMPLIFIED PROCEDURE FOR THE PREPARATION OF DARUNAVIR JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2020-12-09 EP claimed
EP-2877474-B1 A PROCESS FOR PREPARATION OF DARUNAVIR LAURUS LABS LTD (IN) 2020-11-04 EP claimed
US-10774088-B2 Simplified procedure for the preparation of darunavir Janssen Sciences Ireland Unlimited Company (IE) 2020-09-15 US claimed
EP-3541819-A1 A SIMPLIFIED PROCEDURE FOR THE PREPARATION OF DARUNAVIR Janssen Sciences Ireland Unlimited Company (IE) 2019-09-25 EP claimed
WO-2018091559-A1 A SIMPLIFIED PROCEDURE FOR THE PREPARATION OF DARUNAVIR JANSSEN SCIENCES IRELAND UC (IE) 2018-05-24 WO claimed
US-9475821-B2 Process for preparation of Darunavir LAURUS LABS PRIVATE LIMITED (IN) 2016-10-25 US claimed
US-20150203506-A1 PROCESS FOR PREPARATION OF DARUNAVIR LAURUS LABS PRIVATE LTD. (IN) 2015-07-23 US claimed
US-20150141383-A1 Darunavir Polymorph and Process for Preparation Thereof CIPLA LIMITED (IN) 2015-05-21 US claimed
US-20130029945-A1 Darunavir Polymorph and Process for Preparation Thereof CIPLA LIMITED (IN) 2013-01-31 US claimed
EP-2521728-A2 DARUNAVIR POLYMORPH AND PROCESS FOR PREPARATION THEREOF Cipla Limited (IN) 2012-11-14 EP claimed
WO-2011083287-A2 DARUNAVIR POLYMORPH AND PROCESS FOR PREPARATION THEREOF CIPLA LIMITED (IN) 2011-07-14 WO claimed
US-20050032889-A1 Process for producing crystal of benzenesulfonamide derivative, and novel crystal of intermediate therefor and process for producing the same AJINOMOTO CO., INC (JP) 2005-02-10 US claimed
EP-1466896-A1 PROCESS FOR PRODUCING CRYSTAL OF BENZENESULFONAMIDE DERIVATIVE, AND NOVEL CRYSTAL OF INTERMEDIATE THEREFOR AND PROCESS FOR PRODUCING THE SAME Ajinomoto Co., Inc. (JP) 2004-10-13 EP claimed
US-11427599-B2 Simplified procedure for the preparation of darunavir Janssen Sciences Ireland Unlimited Company (IE) 2022-08-30 US disclosed
US-11427599-B2 Simplified procedure for the preparation of darunavir Janssen Sciences Ireland Unlimited Company (IE) 2022-08-30 US disclosed
US-20050131042-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 US disclosed
US-20050032889-A1 Process for producing crystal of benzenesulfonamide derivative, and novel crystal of intermediate therefor and process for producing the same AJINOMOTO CO., INC (JP) 2005-02-10 US disclosed
EP-1466896-A1 PROCESS FOR PRODUCING CRYSTAL OF BENZENESULFONAMIDE DERIVATIVE, AND NOVEL CRYSTAL OF INTERMEDIATE THEREFOR AND PROCESS FOR PRODUCING THE SAME Ajinomoto Co., Inc. (JP) 2004-10-13 EP 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 (8 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-10774088-B2 Simplified procedure for the preparation of darunavir ADH1A, CYP3A43, DERA SPPL2A 1582/4885MLNR 2422/4885ABCB11 2200/4885
US-20130029945-A1 Darunavir Polymorph and Process for Preparation Thereof SAMHD1, CYP3A4, CYP3A43 SPPL2A 3725/4885MLNR 3663/4885ABCB11 553/4885
US-20150203506-A1 PROCESS FOR PREPARATION OF DARUNAVIR SAMHD1, DARS1, CYP3A43 SPPL2A 4534/4885MLNR 3568/4885ABCB11 788/4885
US-20150141383-A1 Darunavir Polymorph and Process for Preparation Thereof SAMHD1, CYP3A4, CYP3A43 SPPL2A 3725/4885MLNR 3663/4885ABCB11 553/4885
US-20050032889-A1 Process for producing crystal of benzenesulfonamide derivative, and novel crystal of intermediate therefor and process for producing the same WEE1, WEE2, NOTUM SPPL2A 3302/4885MLNR 3897/4885ABCB11 861/4885
US-20210139495-A1 SIMPLIFIED PROCEDURE FOR THE PREPARATION OF DARUNAVIR ADH1A, CYP3A43, DERA SPPL2A 1610/4885MLNR 2358/4885ABCB11 2068/4885
US-11427599-B2 Simplified procedure for the preparation of darunavir ADH1A, CYP3A43, DERA SPPL2A 1610/4885MLNR 2358/4885ABCB11 2068/4885
US-20050131042-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP SPPL2A 1106/4885MLNR 3723/4885ABCB11 2264/4885

“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.