SCHEMBL3319960

SCHEMBL3319960

CCCCn1nccc1C(O)C(CC)CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
NR1H3 Q13133 1/20 0.34
ESR1 P03372 2/20 0.33
HCAR3 P49019 2/20 0.33
GRM2 Q14416 1/20 0.33
SLC9A1 P19634 1/20 0.33
DGAT1 O75907 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 2/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL16815763 0.78 SLC9A1 (0.37) MAPK1HCAR3SLC9A1SMN1; SMN2CYP1A2
SCHEMBL16815888 0.78 SLC9A1 (0.37) MAPK1HCAR3SLC9A1SMN1; SMN2CYP1A2
SCHEMBL16816443 0.78 SLC9A1 (0.37) MAPK1HCAR3SLC9A1SMN1; SMN2CYP1A2
SCHEMBL4905488 0.77 KDM4E (0.42) NR1H3SLC9A1SMN1; SMN2TSHRMAPT
SCHEMBL5731470 0.76 PSEN1 (0.67) SMN1; SMN2TSHRCYP1A2PSEN1PSEN2
SCHEMBL27678462 0.76 NR1H3 (0.31) NR1H3SLC9A1
SCHEMBL16861332 0.74 MPO (0.38) MAPK1NR1H3ESR1HCAR3GRM2
SCHEMBL18250293 0.72 SLC9A1 (0.41) MAPK1SLC9A1SMN1; SMN2KMT2AMEN1
SCHEMBL13212232 0.72 SLC9A1 (0.41) MAPK1NR1H3ESR1HCAR3GRM2
SCHEMBL4909294 0.72 SMN1; SMN2 (0.43) MAPK1SMN1; SMN2TSHRKMT2AMEN1

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 6 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
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 MAPK1 1705/4885NR1H3 665/4885ESR1 3438/4885
US-20080249150-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE APP, IAPP, PARK7 MAPK1 1705/4885NR1H3 665/4885ESR1 3438/4885
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole IAPP, APP, CBR3 MAPK1 3486/4885NR1H3 740/4885ESR1 2210/4885

“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.