SCHEMBL4743901

SCHEMBL4743901

Cc1ccc(C2NC(C(=O)O)CS2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
MAPT P10636 6/20 1.00
ALDH1A1 P00352 9/20 0.71
HSD17B10 Q99714 1/20 0.69
S1PR3 Q99500 2/20 0.61
ALOX15 P16050 1/20 0.61
POLB P06746 2/20 0.58
PTGS2 P35354 2/20 0.55
PTGS1 P23219 1/20 0.55
PKM P14618 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GFER P55789 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL4743903 1.00 KDM4E (1.00) KDM4EMAPTALDH1A1HSD17B10S1PR3
SCHEMBL11067751 1.00 KDM4E (1.00) KDM4EMAPTALDH1A1HSD17B10S1PR3
SCHEMBL16084531 0.92 KDM4E (0.84) KDM4EMAPTALDH1A1HSD17B10S1PR3
SCHEMBL11373045 0.85 KDM4E (0.74) KDM4EMAPTALDH1A1HSD17B10S1PR3
SCHEMBL2029800 0.85 ALDH1A1 (0.76) KDM4EMAPTALDH1A1HSD17B10S1PR3
SCHEMBL2034753 0.85 ALDH1A1 (0.76) KDM4EMAPTALDH1A1HSD17B10S1PR3
SCHEMBL31714043 0.85 ALDH1A1 (0.76) KDM4EMAPTALDH1A1HSD17B10S1PR3
SCHEMBL5526027 0.85 ALDH1A1 (0.76) KDM4EMAPTALDH1A1HSD17B10S1PR3
SCHEMBL3059385 0.85 ALDH1A1 (0.76) KDM4EMAPTALDH1A1HSD17B10S1PR3
SCHEMBL2034755 0.85 ALDH1A1 (0.76) KDM4EMAPTALDH1A1HSD17B10S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190832-A1 Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates NATIONAL INSTITUTE OF IMMUNOLOGY. 2010-07-29 US disclosed
US-20100190832-A1 Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates NATIONAL INSTITUTE OF IMMUNOLOGY. 2010-07-29 US disclosed
WO-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 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 (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-20100190832-A1 Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates TTR, TPR, POT1 KDM4E 678/4885MAPT 26/4885ALDH1A1 2468/4885

“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.