SCHEMBL4891867

SCHEMBL4891867

CC(c1ccccc1)S(=O)(=O)C[C@@H](C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.53
CYP2C19 P33261 2/20 0.44
SRC P12931 2/20 0.43
CYP2D6 P10635 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL12305030 0.77 CYP2C19 (0.44) APAF1CYP2C19CYP2D6MEN1KMT2A
SCHEMBL28291990 0.76 CA1 (0.47) APAF1CYP2C19MEN1KMT2AALDH1A1
SCHEMBL5863381 0.75 CYP2C19 (0.49) APAF1CYP2C19SRCCYP2D6MEN1
SCHEMBL7365625 0.74 PSIP1 (0.52) APAF1CYP2C19MEN1KMT2AALDH1A1
SCHEMBL14215519 0.71 HPGD (0.56) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL16311051 0.70 CA12 (0.58) APAF1CYP2C19CYP2D6KMT2AALDH1A1
SCHEMBL248500 0.70 SRC (0.54) CYP2C19SRCCYP2D6MEN1KMT2A
SCHEMBL3390806 0.70 SRC (0.54) CYP2C19SRCCYP2D6MEN1KMT2A
SCHEMBL3398714 0.70 SRC (0.54) CYP2C19SRCCYP2D6MEN1KMT2A
SCHEMBL23894335 0.69 TRPA1 (0.57) APAF1SRCCYP2D6ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103311-A1 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2008-05-01 US disclosed
US-7312333-B2 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2007-12-25 US disclosed
US-20060264483-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-11-23 US disclosed
US-20060166895-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2006-07-27 US disclosed
US-7045518-B2 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-05-16 US disclosed
US-7026485-B2 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-7026333-B1 Retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-20060040974-A1 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-02-23 US disclosed
EP-0815856-B1 Retroviral protease inhibitors MONSANTO CO (US) 2005-06-01 EP disclosed
US-20050004230-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2005-01-06 US disclosed
EP-0558630-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558603-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558673-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0558657-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0554400-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-08-11 EP disclosed
WO-1992008700-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008701-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008699-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008688-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008698-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 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 (5 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-20080103311-A1 Retroviral protease inhibitors PREP, DNPEP, SERPINB1 APAF1 77/4885CYP2C19 2590/4885SRC 2267/4885
US-20060040974-A1 Retroviral protease inhibitors PREP, TMPRSS15, DNPEP APAF1 76/4885CYP2C19 829/4885SRC 2818/4885
US-20050004230-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 APAF1 103/4885CYP2C19 1691/4885SRC 3197/4885
US-20060264483-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 APAF1 219/4885CYP2C19 3273/4885SRC 2069/4885
US-20060166895-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 APAF1 103/4885CYP2C19 1691/4885SRC 3197/4885

“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.