SCHEMBL4662676

SCHEMBL4662676

CC(=O)c1sc(-c2ccccc2NC(=O)O)nc1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.50
RAB9A P51151 7/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
DHODH Q02127 1/20 0.46
HTR2C P28335 1/20 0.46
NPC1 O15118 4/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL13071539 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1RAB9AHPGD
SCHEMBL4740528 0.78 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1RAB9AHPGD
SCHEMBL851866 0.77 SMN1; SMN2 (0.78) ALDH1A1KMT2AMEN1RAB9AHPGD
SCHEMBL15657407 0.75 SMN1; SMN2 (0.73) ALDH1A1KMT2AMEN1RAB9AHPGD
SCHEMBL15656341 0.75 SMN1; SMN2 (0.73) ALDH1A1KMT2AMEN1RAB9AHPGD
SCHEMBL4662449 0.74 ACHE (0.55) ALDH1A1RAB9AHPGDNPSR1SMN1; SMN2
SCHEMBL13071549 0.73 GAA (0.53) ALDH1A1KMT2AMEN1RAB9AHPGD
SCHEMBL27589478 0.73 ALDH1A1 (0.51) ALDH1A1KMT2ARAB9AHPGDNPSR1
SCHEMBL3435592 0.72 RAB9A (0.52) ALDH1A1KMT2AMEN1RAB9AHPGD
SCHEMBL3435617 0.72 SMN1; SMN2 (0.69) ALDH1A1KMT2ARAB9AHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682105-A4 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2008-12-24 EP disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
EP-1682105-A2 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-26 EP disclosed
US-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 US disclosed
WO-2005048932-A2 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 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-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity ACKR3, CCL11, GPR17 ALDH1A1 1127/4885KMT2A 4319/4885MEN1 4758/4885

“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.