SCHEMBL6385658

SCHEMBL6385658

O=C(NCc1ccc(C(=O)NC2CCS(=O)(=O)C2)cc1Cl)NC1c2ccccc2CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 10/20 0.43
DHODH Q02127 1/20 0.43
ALDH1A1 P00352 4/20 0.41
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40

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
SCHEMBL6385653 0.91 DHODH (0.43) DHODHTAS1R3TAS1R1
SCHEMBL4758046 0.83 EPHX2 (0.49) DHODHALDH1A1TAS1R3TAS1R1
SCHEMBL6390930 0.79 DRD3 (0.47) ALDH1A1MAPT
SCHEMBL6385904 0.78 OPRM1 (0.45) DHODH
SCHEMBL6385499 0.76 MCHR1 (0.51) TSHRMAPT
SCHEMBL6385780 0.76 MCHR1 (0.51) TSHRMAPT
SCHEMBL6390024 0.76 CACNA1G (0.56) ALDH1A1
SCHEMBL6391127 0.74 OPRM1 (0.39) DHODHALDH1A1MAPTTAS1R3TAS1R1
SCHEMBL4701484 0.74 EPHX2 (0.38) DHODHALDH1A1TAS1R3TAS1R1
SCHEMBL4703609 0.71 AVPR2 (0.39) DHODHMAPTTAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 US claimed
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 US 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-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 DGAT2 4356/4885DHODH 1710/4885ALDH1A1 2117/4885

“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.