SCHEMBL4891863

SCHEMBL4891863

C[C@@H](CS(=O)(=O)CCc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.49
MMP12 P39900 2/20 0.47
MMP13 P45452 2/20 0.47
TSHR P16473 2/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.42
MMP1 P03956 1/20 0.42
MMP7 P09237 1/20 0.42
MMP8 P22894 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
FPR1 P21462 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KEAP1 Q14145 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL5864392 1.00 CA2 (0.49) CA2MMP12MMP13TSHRKMT2A
SCHEMBL4891856 1.00 CA2 (0.49) CA2MMP12MMP13TSHRKMT2A
SCHEMBL14215519 0.83 HPGD (0.56) CA2MMP13TSHRKMT2AMEN1
SCHEMBL6864064 0.79 PPARG (0.40) MMP12MMP13TSHRHPGDCYP1A2
SCHEMBL27834323 0.77 MMP12 (0.51) CA2MMP12MMP13MMP1MMP7
SCHEMBL7078968 0.76 MMP2 (0.60) CA2MMP12MMP13MMP1MMP8
SCHEMBL5863374 0.76 KMT2A (0.45) CA2MMP12MMP13TSHRKMT2A
SCHEMBL302785 0.75 CA2 (0.69) CA2MMP12MMP13HPGDMMP1
SCHEMBL1377040 0.75 CPA3 (0.62) CA2MMP12MMP13MMP1MMP8
SCHEMBL264775 0.74 TSHR (0.68) TSHRKMT2AMEN1HPGDALDH1A1

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 88 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-0558657-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0558673-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-1992008698-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

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 CA2 4309/4885MMP12 89/4885MMP13 270/4885
US-20060040974-A1 Retroviral protease inhibitors PREP, TMPRSS15, DNPEP CA2 4350/4885MMP12 82/4885MMP13 227/4885
US-20050004230-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 CA2 4476/4885MMP12 85/4885MMP13 259/4885
US-20060264483-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 CA2 3701/4885MMP12 99/4885MMP13 523/4885
US-20060166895-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 CA2 4476/4885MMP12 85/4885MMP13 259/4885

“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.