SCHEMBL5230410

SCHEMBL5230410

CC(C)(C)NC(=O)[N+]1(C(=O)OCc2ccccc2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
FKBP1A P62942 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 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
SCHEMBL5319001 0.75 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AKMT2AMAPT
SCHEMBL8602160 0.74 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL4442846 0.74 KMT2A (0.60) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL4167580 0.71 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL18650047 0.71 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL11233359 0.70 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL8216557 0.70 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KMT2AMAPK1L3MBTL1
SCHEMBL1128419 0.70 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4160510 0.70 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5849243 0.70 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1340744-B1 Hiv protease inhibitors AGOURON PHARMA (US) 2007-05-23 EP disclosed
EP-0889036-B1 HIV protease inhibitors AGOURON PHARMA (US) 2004-12-29 EP disclosed
US-6693199-B2 DEPROTECTING CARBAMATE GROUP AND AMIDATING IN PRESENCE OF SUCH AS HYDROXYBENZOTRIAZOLE HYDRATE PROMOTER AGOURON PHARMACEUTICALS, INC. 2004-02-17 US disclosed
US-20030216569-A1 Method of making HIV protease inhibitors DRESSMAN BRUCE A (US) 2003-11-20 US disclosed
EP-1340744-A2 Hiv protease inhibitors Agouron Pharmaceuticals, Inc. (US) 2003-09-03 EP disclosed
US-6525215-B2 As antiviral agents suitable for therapy of patients or hosts infected with the HIV virus, which is known to cause AIDS AGOURON PHARMACEUTICALS, INC. 2003-02-25 US disclosed
US-20020077338-A1 HIV protease inhibitors DRESSMAN BRUCE A (US) 2002-06-20 US disclosed
US-6271235-B1 VIRICIDE AGOURON PHARMACEUTICALS, INC. 2001-08-07 US disclosed
US-6162812-A Pharmaceutical compositions containing HIV protease inhibitors and methods of their use AGOURON PHARMACEUTICALS, INC. (US) 2000-12-19 US disclosed
US-5952343-A VIRICIDES; SPECIFICITY; NONTOXIC AGOURON PHARMACEUTICALS, INC. 1999-09-14 US disclosed
US-5827859-A ADMINISTERED TO TREAT AIDS; VIRICIDES AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5827891-A FOR TREATMENT OF AIDS, BLOCKING REPLICATION OF HIV VIRUS AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5827858-A ADMINISTERED TO TREAT AIDS AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5824688-A HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 1998-10-20 US disclosed
US-5733906-A Inhibitors of HIV Protease useful for the treatment of Aids ELI LILLY AND COMPANY (US) 1998-03-31 US disclosed
EP-0722439-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-07-24 EP disclosed
US-5484926-A VIRICIDES AND ENZYME INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-01-16 US disclosed
US-5461154-A HIV protease inhibitors ELI LILLY AND COMPANY (US) 1995-10-24 US disclosed
WO-1995009843-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1995-04-13 WO disclosed
EP-0604185-A1 Inhibitors of HIV protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1994-06-29 EP 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-20020077338-A1 HIV protease inhibitors PREP, PRSS1, SERPINB1 ALDH1A1 3232/4885SMN1; SMN2 4625/4885NPC1 1058/4885
US-20030216569-A1 Method of making HIV protease inhibitors SERPINB1, PRSS1, PREP ALDH1A1 1046/4885SMN1; SMN2 3809/4885NPC1 412/4885

“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.