SCHEMBL5289802

SCHEMBL5289802

NC(Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.46
CYP3A4 P08684 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 3/20 0.42
HSD17B10 Q99714 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PKM P14618 2/20 0.42
ALOX15 P16050 2/20 0.42
HIF1A Q16665 2/20 0.42
KDM4E B2RXH2 2/20 0.42
RECQL P46063 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 2/20 0.42
RGS12 O14924 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42
CASP1 P29466 1/20 0.42
BRCA1 P38398 1/20 0.42

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
SCHEMBL5294228 0.83 SMN1; SMN2 (0.47) SLC7A5CYP3A4SMN1; SMN2ALDH1A1LMNA
SCHEMBL26659419 0.77 SLC7A5 (0.51) SLC7A5CYP3A4ALDH1A1LMNAUSP2
Phenylalanine SCHEMBL3359136 0.73 SLC7A5 (0.59) SLC7A5ALDH1A1LMNAPKMMEN1
Dl-Phenylalanine SCHEMBL3359132 0.73 SLC7A5 (0.59) SLC7A5ALDH1A1LMNAPKMMEN1
SCHEMBL5297028 0.72 SLC7A5 (0.50) SLC7A5CYP3A4LMNAPKMHIF1A
SCHEMBL10680028 0.72 SLC7A5 (0.50) SLC7A5CYP3A4LMNAPKMHIF1A
SCHEMBL2108830 0.72 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1LMNAUSP2HSD17B10
SCHEMBL10130747 0.72 GPR84 (0.50) SMN1; SMN2ALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL13883155 0.71 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1LMNAUSP2HSD17B10
SCHEMBL4625744 0.69 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1LMNAUSP2HSD17B10

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
US-20220232831-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2022-07-28 US claimed
EP-3983382-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES Fortephest Ltd. (IL) 2022-04-20 EP claimed
CN-113939499-A Novel non-coding heterocyclic amino acids (NCHAA) and their use as herbicides 福提费斯特有限公司 2022-01-14 CN claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
US-20220232831-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2022-07-28 US disclosed
EP-3983382-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES Fortephest Ltd. (IL) 2022-04-20 EP disclosed
CN-113939499-A Novel non-coding heterocyclic amino acids (NCHAA) and their use as herbicides 福提费斯特有限公司 2022-01-14 CN disclosed
WO-2007002469-A2 THERAPEUTIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
WO-2007002594-A1 COSMETIC 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-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 (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-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 SLC7A5 860/4885CYP3A4 421/4885SMN1; SMN2 3375/4885
US-20220232831-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES SLC43A1, NPPA, NAAA SLC7A5 61/4885CYP3A4 4191/4885SMN1; SMN2 3850/4885

“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.