SCHEMBL5863227

SCHEMBL5863227

CC(C)CN(C(O)(CCNC(=O)CC(C)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc2nc(N)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK1 P49759 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
GFER P55789 1/20 0.36

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
SCHEMBL5863410 0.87 MEN1 (0.37) MEN1KMT2ACYP3A4MAPT
SCHEMBL5863154 0.87 CYP2D6 (0.49) MEN1KMT2ACYP2D6CYP3A4CYP2C9
SCHEMBL5863176 0.85 SPPL2A (0.41) MEN1KMT2A
SCHEMBL5863343 0.83 CHRM5 (0.36) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL2582577 0.81 CYP2D6 (0.47) CYP2D6CYP3A4CYP2C9ALDH1A1CYP2C19
SCHEMBL5403917 0.80 ALDH1A1 (0.41) KMT2AALDH1A1LMNAMAPTPOLB
SCHEMBL5863086 0.79 ACR (0.45) MEN1KMT2ACYP2D6CYP3A4CYP2C9
SCHEMBL5863089 0.79 MMP2 (0.42) ALDH1A1LMNAMAPTPOLB
SCHEMBL8445408 0.77 ALDH1A1 (0.38) KMT2AALDH1A1HSD17B10LMNAPOLB
Bromide SCHEMBL4972241 0.76 MEN1 (0.35) MEN1KMT2ACYP3A4MAPT

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 12 patents. 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-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-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
WO-1996028418-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 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 (3 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-20040147758-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 MEN1 4502/4885KMT2A 746/4885CYP2D6 3131/4885
US-20060264483-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 MEN1 4502/4885KMT2A 746/4885CYP2D6 3131/4885
US-20030191166-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 MEN1 4502/4885KMT2A 746/4885CYP2D6 3131/4885

“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.