SCHEMBL1287445

SCHEMBL1287445

CCC(CC)N(Cc1ccc(C(=O)OC)cn1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TAS2R14 Q9NYV8 2/20 0.39
CXCR1 P25024 2/20 0.39
CXCR2 P25025 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.37
PTGER2 P43116 1/20 0.37
GABRA5 P31644 2/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
MMP13 P45452 2/20 0.37

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
SCHEMBL10206709 0.88 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1287309 0.84 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1287987 0.75 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1287337 0.74 BMP1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1287458 0.73 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10205290 0.73 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1287412 0.73 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1287409 0.73 BMP1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19876837 0.71 MAPK1 (0.57) ALDH1A1RAB9AMAPK1KDM4EL3MBTL1
SCHEMBL30025267 0.71 HDAC6 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A

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-20130310384-A1 Sulfonamide-Containing Compounds THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-11-21 US disclosed
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 PSEN1 4/4885PSEN2 5/4885APH1B 8/4885

“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.