SCHEMBL5863319

SCHEMBL5863319

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.53
BACE1 P56817 4/20 0.50
CTSD P07339 2/20 0.50
CTSB P07858 3/20 0.49
CTRB1 P17538 2/20 0.48
CTSL P07711 2/20 0.47
CTSS P25774 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
ENPP2 Q13822 1/20 0.47
SPPL2A Q8TCT8 1/20 0.46
BCHE P06276 1/20 0.46
CTSK P43235 1/20 0.46

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
SCHEMBL5863316 1.00 TRPM8 (0.53) TRPM8BACE1CTSDCTSBCTRB1
SCHEMBL2582361 0.86 SPPL2A (0.53) TRPM8BACE1CTSDCTSBCTRB1
SCHEMBL2577831 0.86 SPPL2A (0.53) TRPM8BACE1CTSDCTSBCTRB1
SCHEMBL4908808 0.86 SPPL2A (0.53) TRPM8BACE1CTSDCTSBCTRB1
SCHEMBL6888172 0.86 BACE1 (0.51) BACE1CTSDBCHE
SCHEMBL7614119 0.86 BACE1 (0.51) BACE1CTSDBCHE
SCHEMBL7614124 0.86 BACE1 (0.51) BACE1CTSDBCHE
SCHEMBL7761083 0.85 KLK5 (0.57) BACE1CTSSBCHECTSK
SCHEMBL5379746 0.85 KLK5 (0.57) BACE1CTSSBCHECTSK
SCHEMBL5379743 0.85 KLK5 (0.57) BACE1CTSSBCHECTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264483-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-11-23 US disclosed
US-7045518-B2 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-05-16 US disclosed
US-20040267022-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. 2004-12-30 US disclosed
US-20040147758-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2004-07-29 US disclosed
EP-1052250-B1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors SEARLE & CO (US) 2004-07-14 EP disclosed
US-6743929-B1 AMINO AND N-AMINO PROTECTED EPOXIDE INTERMEDIATES G. D. SEARLE & CO. 2004-06-01 US disclosed
US-6667307-B2 HIV protease G.D. SEARLE & CO. 2003-12-23 US disclosed
US-20030191166-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2003-10-09 US disclosed
US-6380188-B1 FOR INHIBITING HUMAN IMMUNODEFICIENCY VIRUS PROTEASE G. D. SEARLE & CO. 2002-04-30 US disclosed
EP-0813519-B1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 2001-05-09 EP disclosed
US-5760064-A RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE (US) 1998-06-02 US disclosed
EP-0656888-B1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-01-07 EP disclosed
US-5705500-A HIV TREATMENT G.D. SEARLE & CO. (US) 1998-01-06 US disclosed
EP-0813519-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-12-29 EP disclosed
US-5639769-A ADMINISTERING ANTIVIRAL AGENT G.D. SEARLE AND CO. (US) 1997-06-17 US disclosed
WO-1996028418-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO disclosed
US-5521219-A TREATMENT OF AIDS G. D. SEARLE & CO. (US) 1996-05-28 US disclosed
US-5510388-A TREATING HTLV, AIDS G. D. SEARLE & CO. (US) 1996-04-23 US disclosed
US-5508294-A USED TO TREAT HIV INFECTION G.D. SEARLE & CO. (US) 1996-04-16 US disclosed
WO-1994004493-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-03-03 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 (4 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-20040267022-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, PRSS1, TMPRSS15 TRPM8 3976/4885BACE1 241/4885CTSD 60/4885
US-20040147758-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 TRPM8 3514/4885BACE1 122/4885CTSD 37/4885
US-20060264483-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 TRPM8 3514/4885BACE1 122/4885CTSD 37/4885
US-20030191166-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 TRPM8 3514/4885BACE1 122/4885CTSD 37/4885

“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.