SCHEMBL1673402

SCHEMBL1673402

CCC(c1ccccc1)N(Cc1ccc(C(=O)NCC2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 13/20 0.61
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.43
NAMPT P43490 1/20 0.41

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
SCHEMBL15388269 1.00 CXCR3 (0.61) CXCR3KDM4ELMNAHTTSMN1; SMN2
SCHEMBL15392617 0.88 PSEN1 (0.50) CXCR3LMNASMN1; SMN2PSEN1PSEN2
SCHEMBL10205301 0.88 PSEN1 (0.50) CXCR3LMNASMN1; SMN2PSEN1PSEN2
SCHEMBL15388034 0.85 PSEN1 (0.58) CXCR3LMNAHTTSMN1; SMN2PSEN1
SCHEMBL15388164 0.85 SMN1; SMN2 (0.53) CXCR3LMNASMN1; SMN2PSEN1PSEN2
SCHEMBL1673932 0.85 SMN1; SMN2 (0.53) CXCR3LMNASMN1; SMN2PSEN1PSEN2
SCHEMBL15388048 0.83 PSEN1 (0.56) CXCR3SMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL10205751 0.83 PSEN1 (0.56) CXCR3SMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL15388018 0.83 PSEN1 (0.55) CXCR3SMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL1672561 0.83 PSEN1 (0.55) CXCR3HTTSMN1; SMN2PSEN1PSEN2

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-20130310384-A1 Sulfonamide-Containing Compounds THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-11-21 US disclosed
WO-2012047926-A2 SULFONAMIDE-CONTAINING COMPOUNDS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-04-12 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-20130310384-A1 Sulfonamide-Containing Compounds BACE1, BACE2, GSAP CXCR3 3625/4885KDM4E 1564/4885LMNA 2049/4885

“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.