SCHEMBL6099197

SCHEMBL6099197

COc1ccc(S(=O)(=O)N(CCC(C)C)CC(O)[C@H](Cc2ccccc2)NC(=O)C(C)CS(C)(=O)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.47
ABCB11 O95342 1/20 0.47
LMNA P02545 1/20 0.47
CTSD P07339 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP3A5 P20815 1/20 0.47
CNR1 P21554 1/20 0.47
TBXAS1 P24557 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL6099268 0.93 MLNR (0.45) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL6102665 0.93 SPPL2A (0.54)
SCHEMBL30585310 0.93 SPPL2A (0.54)
SCHEMBL7954523 0.93 SPPL2A (0.54)
SCHEMBL6101526 0.92 CTSD (0.46) CTSD
SCHEMBL9083184 0.92 MLNR (0.47) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL6102000 0.91 MLNR (0.53) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL7526248 0.89 SPPL2A (0.51)
SCHEMBL9084413 0.87 MAPT (0.48) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL8842365 0.86 SPPL2A (0.49)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521219-A TREATMENT OF AIDS G. D. SEARLE & CO. (US) 1996-05-28 US claimed
US-20060264483-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-11-23 US disclosed
EP-1052250-B1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors SEARLE & CO (US) 2004-07-14 EP 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-6169085-B1 A VIRICIDE FOR PREVENTING AND TREATING RETROVIRAL INFECTION OR THE SPREAD OF A RETROVIRUS, INHIBITING REPLICATION OF A RETROVIRUS AND TREATING AIDS G. D. SEARLE & COMPANY 2001-01-02 US disclosed
EP-1052250-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2000-11-15 EP disclosed
US-5985870-A TREATING HIV INFECTIONS G.D. SEARLE & CO. (US) 1999-11-16 US 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 (2 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-20060264483-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 MLNR 3628/4885ABCB11 2340/4885LMNA 3635/4885
US-20030191166-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 MLNR 3628/4885ABCB11 2340/4885LMNA 3635/4885

“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.