SCHEMBL5288034

SCHEMBL5288034

NC(Cc1nc2ccccc2o1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 2/20 0.53
LOXL2 Q9Y4K0 1/20 0.51
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
PTPRA P18433 1/20 0.46
PTPRB P23467 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL11099516 1.00 NPC1 (0.53) NPC1RAB9AMAPTLOXL2TP53
SCHEMBL1627274 1.00 NPC1 (0.53) NPC1RAB9AMAPTLOXL2TP53
SCHEMBL7909117 0.86 NPC1 (0.58) NPC1RAB9AMAPTLOXL2TP53
SCHEMBL11096618 0.84 AKR1B1 (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4484665 0.83 RAB9A (0.54) NPC1RAB9AMAPTLOXL2TP53
SCHEMBL6505533 0.83 NPC1 (0.47) NPC1RAB9AMAPTLOXL2TP53
SCHEMBL8298679 0.83 NPC1 (0.47) NPC1RAB9AMAPTLOXL2TP53
SCHEMBL30714783 0.82 RAB9A (0.46) NPC1RAB9AMAPTLOXL2TP53
SCHEMBL11099435 0.80 MEN1 (0.50) MAPTSMN1; SMN2LMNAPTPRAPTPRB
SCHEMBL11100833 0.80 GAA (0.45) NPC1RAB9AMAPTTP53SMN1; SMN2

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
WO-2020230780-A1 Ras INHIBITORY PEPTIDE 一丸ファルコス株式会社 2020-11-19 WO claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
US-11858905-B1 Cathepsin L inhibitors BIOFRONT THERAPEUTICS (BEIJING) CO., LTD. (CN) 2024-01-02 US disclosed
WO-2020230780-A1 Ras INHIBITORY PEPTIDE 一丸ファルコス株式会社 2020-11-19 WO disclosed
WO-2007002594-A1 COSMETIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
WO-2007002469-A2 THERAPEUTIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
US-20060293227-A1 Cosmetic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 US disclosed
US-20060293228-A1 Therapeutic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 US disclosed
US-6939854-B2 Peptide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-06 US disclosed
US-6846806-B2 Peptide inhibitors of Hepatitis C virus NS3 protein BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-25 US disclosed
US-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 US disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 US disclosed
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-30 US disclosed
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001064678-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-07 WO disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 EP disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 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-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 NPC1 366/4885RAB9A 3710/4885MAPT 4425/4885
US-11858905-B1 Cathepsin L inhibitors CTSV, CTSL, CTSB NPC1 84/4885RAB9A 826/4885MAPT 1443/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 NPC1 125/4885RAB9A 3441/4885MAPT 3370/4885

“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.