SCHEMBL5324111

SCHEMBL5324111

Cc1cc(C)cc(CC(N)C(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 7/20 0.69
PTGS1 P23219 2/20 0.57
PKM P14618 2/20 0.57
ALPI P09923 1/20 0.57
XIAP P98170 1/20 0.57
HSD17B10 Q99714 5/20 0.53
USP2 O75604 4/20 0.53
ADORA3 P0DMS8 3/20 0.53
ALOX15 P16050 3/20 0.53
PTGS2 P35354 2/20 0.53
KDM4E B2RXH2 2/20 0.53
RECQL P46063 2/20 0.53
HIF1A Q16665 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
EGFR P00533 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
HTR2A P28223 1/20 0.53
SIRT5 Q9NXA8 1/20 0.53
MEN1 O00255 4/20 0.49

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
SCHEMBL19231087 1.00 SLC7A5 (0.69) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL11699147 0.85 SLC7A5 (0.65) SLC7A5PTGS1PKMALPIXIAP
Hydrochloric Acid SCHEMBL11701246 0.84 SLC7A5 (0.63) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL2005523 0.83 SLC7A5 (0.57) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL5323478 0.82 SLC7A5 (0.58) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL16585559 0.82 SLC7A5 (0.58) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL42906 0.82 SLC7A5 (0.65) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL42907 0.82 SLC7A5 (0.65) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL1795728 0.82 SLC7A5 (0.65) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL29378650 0.82 SLC7A5 (0.65) SLC7A5PTGS1PKMALPIXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9737875-B2 Affinity reagents for protein purification IMPOSSIBLE FOODS INC. (US) 2017-08-22 US claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
EP-3061753-A1 ENANTIO-SELECTIVE SYNTHESIS OF NON-NATURAL AMINO ACIDS Universita' Degli Studi "G. d'Annunzio" Chieti-Pescara (IT) 2016-08-31 EP 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-20040147483-A1 Peptide inhibitors of hepatitis C virus NS3 protease PRIESTLEY E SCOTT (DE) 2004-07-29 US disclosed
US-6699855-B2 PYRROLOPYRAZINONES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2004-03-02 US disclosed
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2002-11-28 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
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 (4 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 SLC7A5 860/4885PTGS1 118/4885PKM 3002/4885
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein VIP, PRSS1, SERPINB1 SLC7A5 3026/4885PTGS1 1037/4885PKM 3437/4885
US-20040147483-A1 Peptide inhibitors of hepatitis C virus NS3 protease VIP, PRSS1, CTSC SLC7A5 2870/4885PTGS1 921/4885PKM 3370/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 SLC7A5 2566/4885PTGS1 433/4885PKM 606/4885

“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.