SCHEMBL4910315

SCHEMBL4910315

CC(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.56
CTRB1 P17538 2/20 0.54
SPPL2A Q8TCT8 1/20 0.53
CTSB P07858 2/20 0.52
ACE2 Q9BYF1 1/20 0.50
CTSK P43235 4/20 0.49
CTSL P07711 2/20 0.49
BCHE P06276 1/20 0.48
BACE1 P56817 3/20 0.48
CTSS P25774 1/20 0.48
SLC6A11 P48066 1/20 0.48
ATM Q13315 1/20 0.48
CTSD P07339 2/20 0.48

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
SCHEMBL7698179 1.00 TRPM8 (0.56) TRPM8CTRB1SPPL2ACTSBACE2
SCHEMBL5413813 1.00 TRPM8 (0.56) TRPM8CTRB1SPPL2ACTSBACE2
SCHEMBL24324236 1.00 TRPM8 (0.56) TRPM8CTRB1SPPL2ACTSBACE2
SCHEMBL3029758 0.90 CTSK (0.55) CTRB1CTSBACE2CTSKCTSL
SCHEMBL8478010 0.90 CTRB1 (0.54) TRPM8CTRB1SPPL2ACTSBACE2
SCHEMBL2582361 0.90 SPPL2A (0.53) TRPM8CTRB1SPPL2ACTSBACE2
SCHEMBL2577831 0.90 SPPL2A (0.53) TRPM8CTRB1SPPL2ACTSBACE2
SCHEMBL4908808 0.90 SPPL2A (0.53) TRPM8CTRB1SPPL2ACTSBACE2
SCHEMBL14395196 0.89 BACE1 (0.51) BCHEBACE1SLC6A11
SCHEMBL2601900 0.88 BACE1 (0.62) TRPM8CTRB1CTSBBCHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9643976-B2 Solvates of darunavir AUROBINDO PHARMA LTD. (IN) 2017-05-09 US disclosed
US-20160355525-A1 PROCESS FOR PREPARATION OF DARUNAVIR LAURUS LABS LIMITED (IN) 2016-12-08 US disclosed
US-9475821-B2 Process for preparation of Darunavir LAURUS LABS PRIVATE LIMITED (IN) 2016-10-25 US disclosed
EP-2998291-A1 A NOVEL PROCESS TO PREPARE INTERMEDIATES OF HIV-PROTEASE INHIBITORS THEREOF ZCL Chemicals Ltd. (IN) 2016-03-23 EP disclosed
US-20160075643-A1 NOVEL PROCESS TO PREPARE INTERMEDIATES OF HIV-PROTEASE INHIBITORS THEREOF ZCL CHEMICALS LIMITED (IN) 2016-03-17 US disclosed
US-20150203506-A1 PROCESS FOR PREPARATION OF DARUNAVIR LAURUS LABS PRIVATE LTD. (IN) 2015-07-23 US disclosed
US-20150141382-A1 NOVEL SOLVATES OF DARUNAVIR AUROBINDO PHARMA LIMITED (IN) 2015-05-21 US disclosed
WO-2013108105-A2 NOVEL SOLVATES OF DARUNAVIR AUROBINDO PHARMA LIMITED (IN) 2013-07-25 WO disclosed
US-20080176842-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-07-24 US disclosed
WO-1996022287-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-07-25 WO disclosed
US-5514801-A TREATMENT OF AIDS MONSANTO COMPANY (US) 1996-05-07 US disclosed
EP-0677048-A1 CYCLIC SULFONE CONTAINING RETROVIRAL PROTEASE INHIBITORS. SEARLE & CO (US) 1995-10-18 EP disclosed
EP-0666842-A1 HYDROXYETHYLAMINO SULFAMIC ACID DERIVATIVES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-08-16 EP disclosed
EP-0666843-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFAMIC ACIDS USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-08-16 EP disclosed
WO-1994014793-A1 CYCLIC SULFONE CONTAINING RETROVIRAL PROTEASE INHIBITORS G. D. SEARLE & CO. (US) 1994-07-07 WO disclosed
WO-1994010136-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFAMIC ACIDS USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-05-11 WO disclosed
WO-1994010133-A1 SUCCINOYLAMINO HYDROXYETHYLAMINO SULFAMIC ACID DERIVATIVES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-05-11 WO disclosed
WO-1994010134-A1 HYDROXYETHYLAMINO SULFAMIC ACID DERIVATIVES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-05-11 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 (6 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-20080176842-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS PRSS1, DNPEP, PREP TRPM8 3829/4885CTRB1 304/4885SPPL2A 636/4885
US-20150141382-A1 NOVEL SOLVATES OF DARUNAVIR DARS1, SAMHD1, SARS1 TRPM8 4414/4885CTRB1 2647/4885SPPL2A 4249/4885
US-20150203506-A1 PROCESS FOR PREPARATION OF DARUNAVIR SAMHD1, DARS1, CYP3A43 TRPM8 4647/4885CTRB1 2974/4885SPPL2A 4534/4885
US-20160355525-A1 PROCESS FOR PREPARATION OF DARUNAVIR SAMHD1, CYP3A5, DARS1 TRPM8 4500/4885CTRB1 3807/4885SPPL2A 4665/4885
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 TRPM8 3757/4885CTRB1 4306/4885SPPL2A 3302/4885
US-20160075643-A1 NOVEL PROCESS TO PREPARE INTERMEDIATES OF HIV-PROTEASE INHIBITORS THEREOF PREP, PRSS1, DNPEP TRPM8 3604/4885CTRB1 1236/4885SPPL2A 310/4885

“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.