SCHEMBL4447359

SCHEMBL4447359

CNC(=O)C(NC(=O)c1ccc(S(C)(=O)=O)cc1Cl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.50
ITGA4 P13612 1/20 0.50
USP28 Q96RU2 8/20 0.48
TACR3 P29371 1/20 0.48
SMO Q99835 3/20 0.47
AVPR2 P30518 1/20 0.47
GPR27 Q9NS67 1/20 0.47
ALB P02768 1/20 0.47
HTR1A P08908 1/20 0.47
SLC6A2 P23975 1/20 0.47
PDE4A P27815 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PDE4D Q08499 1/20 0.47
SHH Q15465 1/20 0.47
SLC29A1 Q99808 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL4452983 0.91 LMNA (0.52) USP28TACR3SMOALDH1A1MEN1
SCHEMBL4454280 0.85 TACR3 (0.49) TACR3ALDH1A1MAPTGAALMNA
SCHEMBL14024226 0.83 MEN1 (0.54) TACR3ALDH1A1MEN1KMT2AGAA
SCHEMBL26412112 0.78 AVPR2 (0.58) USP28SMOAVPR2GPR27ALB
SCHEMBL4448302 0.77 PSMB5 (0.65) TACR3ALDH1A1MEN1KMT2A
SCHEMBL27497482 0.73 LMNA (0.55) USP28SMOAVPR2GPR27ALB
SCHEMBL4454245 0.73 TACR3 (0.54) TACR3AVPR2GPR27KMT2ARAB9A
SCHEMBL4444765 0.71 S1PR3 (0.56) TACR3ALDH1A1LMNA
SCHEMBL4443073 0.71 ALDH1A1 (0.56) TACR3ALDH1A1MEN1KMT2ANPSR1
SCHEMBL403618 0.70 LMNA (0.74) USP28SMOAVPR2GPR27ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 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-20090012010-A1 Amino acid derivatives as calcium channel blockers CACNA1G, CACNA1H, CACNA1I ITGB1 2135/4885ITGA4 3154/4885USP28 4311/4885

“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.