SCHEMBL5864654

SCHEMBL5864654

N[C@H]1O[C@H]1CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
FASN P49327 1/20 0.49
TAAR1 Q96RJ0 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2A6 P11509 1/20 0.44
HTR2A P28223 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MAOA P21397 4/20 0.41
MAOB P27338 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
KDM1A O60341 1/20 0.40
LMNA P02545 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
SCHEMBL8786930 1.00 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3FASNTAAR1
SCHEMBL8200189 1.00 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3FASNTAAR1
SCHEMBL5172288 1.00 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3FASNTAAR1
SCHEMBL11687983 0.84 FASN (0.53) SLC6A2SLC6A4SLC6A3FASNTAAR1
SCHEMBL3761884 0.78 FASN (0.49) SLC6A2SLC6A4SLC6A3FASNTAAR1
SCHEMBL1493179 0.78 FASN (0.49) SLC6A2SLC6A4SLC6A3FASNTAAR1
SCHEMBL11825236 0.77 FASN (0.47) SLC6A2SLC6A4SLC6A3FASNTAAR1
SCHEMBL5973225 0.75 TDP1 (0.46) SLC6A2SLC6A4SLC6A3FASNTSHR
SCHEMBL7545254 0.75 FASN (0.46) SLC6A2SLC6A4SLC6A3FASNTAAR1
SCHEMBL5973222 0.75 TDP1 (0.46) SLC6A2SLC6A4SLC6A3FASNTSHR

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-7112683-B2 Cyclic sulfone containing retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-09-26 US disclosed
US-20050119257-A1 cyclic thiophene or thiopyran sulfone- and either urea- or N-heterocyclic moiety-containing hydroxyethylamine; mimetic compound binds to the enzyme; HIV virus G.D. SEARLE & CO. (US) 2005-06-02 US disclosed
US-6329524-B1 AS AN INHIBITOR OF HIV (HUMAN IMMUNODEFICIENCY VIRUS) PROTEASE MONSANTO COMPANY 2001-12-11 US disclosed
EP-0861249-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-02 EP disclosed
EP-0815124-A1 HETEROCYCLECARBONYL AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1998-01-07 EP disclosed
EP-0813519-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-12-29 EP disclosed
EP-0813542-A1 AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-12-29 EP disclosed
EP-0813543-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-12-29 EP disclosed
WO-1997018205-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-05-22 WO disclosed
EP-0769936-A1 SELF-EMULSIFYING DRUG DELIVERY SYSTEM G.D. SEARLE & CO. (US) 1997-05-02 EP disclosed
WO-1996003113-A1 SELF-EMULSIFYING DRUG DELIVERY SYSTEM G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed
US-5482947-A ENZYME INHIBITORS FOR HIV PROTEASE INHIBITION FROM UREA OR THIOUREA COMPOUNDS TALLEY JOHN J (US) 1996-01-09 US disclosed
EP-0666842-A1 HYDROXYETHYLAMINO SULFAMIC ACID DERIVATIVES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-08-16 EP disclosed
EP-0656887-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-14 EP disclosed
EP-0656888-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-14 EP disclosed
WO-1994004493-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-03-03 WO disclosed
EP-0558603-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0554400-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-08-11 EP 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 (1 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-20050119257-A1 cyclic thiophene or thiopyran sulfone- and either urea- or N-heterocyclic moiety-containing hydroxyethylamine; mimetic compound binds to the enzyme; HIV virus DNPEP, ANPEP, SPR SLC6A2 2868/4885SLC6A4 967/4885SLC6A3 2145/4885

“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.