SCHEMBL3319310

SCHEMBL3319310

CCC(CC)C(O)c1ncnn1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
MBOAT4 Q96T53 1/20 0.40
HRH3 Q9Y5N1 6/20 0.40
ALDH1A1 P00352 1/20 0.40
SCN5A Q14524 1/20 0.38
ABL1 P00519 4/20 0.38
BCR P11274 4/20 0.38
PPARG P37231 1/20 0.37
PDE2A O00408 1/20 0.36
HTR2C P28335 1/20 0.36
CPB1 P15086 1/20 0.36

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
SCHEMBL3316523 0.86 MBOAT4 (0.43) TSHRPPARDPPARAMBOAT4HRH3
SCHEMBL3316671 0.85 NPBWR1 (0.40) ALDH1A1
SCHEMBL3318983 0.83 HTT (0.39) TSHRALDH1A1
SCHEMBL3319914 0.81 TSHR (0.38) TSHRPPARDPPARAMBOAT4HRH3
SCHEMBL3318427 0.77 TSHR (0.45) TSHRPPARDPPARAMBOAT4HRH3
SCHEMBL3318423 0.75 TSHR (0.43) TSHRPPARDPPARAMBOAT4HRH3
SCHEMBL3319657 0.73 PSEN1 (0.54) TSHRPPARDPPARAALDH1A1ABL1
SCHEMBL3318705 0.68 HTT (0.50) ALDH1A1
SCHEMBL4496912 0.67 HSD17B13 (0.44) PPARDPPARAMBOAT4SCN5AABL1
SCHEMBL155707 0.67 TSHR (0.58) TSHRHRH3ALDH1A1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144812-A1 Heterocyclic Sulfonamide Inhibitors of Beta Amyloid Production Containing an Azole WYETH LLP (US) 2010-06-10 US disclosed
US-7674813-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production containing an azole WYETH (US) 2010-03-09 US disclosed
EP-1709003-B1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH CORP (US) 2009-09-23 EP disclosed
US-20080249150-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH (US) 2008-10-09 US disclosed
US-7399778-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production containing an azole WYETH (US) 2008-07-15 US disclosed
EP-1709003-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE Wyeth (US) 2006-10-11 EP disclosed
WO-2005073198-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH (US) 2005-08-11 WO disclosed
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole WYETH (US) 2005-08-04 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 (3 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-20100144812-A1 Heterocyclic Sulfonamide Inhibitors of Beta Amyloid Production Containing an Azole APP, IAPP, PARK7 TSHR 153/4885PPARD 2235/4885PPARA 2262/4885
US-20080249150-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE APP, IAPP, PARK7 TSHR 153/4885PPARD 2235/4885PPARA 2262/4885
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole IAPP, APP, CBR3 TSHR 71/4885PPARD 2496/4885PPARA 2388/4885

“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.