SCHEMBL1287409

SCHEMBL1287409

CCC(CC)N(Cc1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 8/20 0.61
PSEN1 P49768 1/20 0.60
PSEN2 P49810 1/20 0.60
APH1B Q8WW43 1/20 0.60
NCSTN Q92542 1/20 0.60
APH1A Q96BI3 1/20 0.60
PSENEN Q9NZ42 1/20 0.60
TAS2R14 Q9NYV8 9/20 0.57
PTGES O14684 1/20 0.52
TAS2R8 Q9NYW2 1/20 0.52
CXCR3 P49682 1/20 0.52
MEP1B Q16820 1/20 0.50

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
SCHEMBL1287458 0.89 PSEN1 (0.61) BMP1PSEN1PSEN2APH1BNCSTN
SCHEMBL1287436 0.89 PSEN1 (0.74) BMP1PSEN1PSEN2APH1BNCSTN
SCHEMBL1287309 0.88 PSEN1 (0.60) BMP1PSEN1PSEN2APH1BNCSTN
SCHEMBL1287412 0.88 PSEN1 (0.77) BMP1PSEN1PSEN2APH1BNCSTN
SCHEMBL6388613 0.81 MMP2 (0.71) BMP1
SCHEMBL6388611 0.81 MMP2 (0.71) BMP1
SCHEMBL26772449 0.81 BMP1 (0.63) BMP1TAS2R14MEP1B
SCHEMBL5118029 0.80 TAS2R14 (0.64) BMP1TAS2R14PTGESTAS2R8CXCR3
SCHEMBL5118026 0.80 TAS2R14 (0.64) BMP1TAS2R14PTGESTAS2R8CXCR3
SCHEMBL1287994 0.79 PSEN1 (0.63) BMP1PSEN1PSEN2APH1BNCSTN

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 BMP1 4084/4885PSEN1 4/4885PSEN2 5/4885

“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.