SCHEMBL2750686

SCHEMBL2750686

Fc1ccc(-c2c[c]ncc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DHFR P00374 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
ALB P02768 1/20 0.37
HMGB1 P09429 1/20 0.37
HPGD P15428 1/20 0.37
CXCL12 P48061 1/20 0.37
HIF1A Q16665 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMO O15229 2/20 0.36
GRM5 P41594 6/20 0.35

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
SCHEMBL2751318 0.86 GRM5 (0.33) LMNAGRM5MAPK14PDE3BPDE3A
SCHEMBL432470 0.75 MAPK14 (0.38) KDM4EALDH1A1MAPK14NPC1RAB9A
SCHEMBL20654512 0.75 AKR1C3 (0.50) GRM5MAPK14PDE3BPDE3A
SCHEMBL29534134 0.75 AKR1C3 (0.50) GRM5MAPK14PDE3BPDE3A
SCHEMBL2750709 0.73 NOTUM (0.38) GRM5
SCHEMBL5542344 0.73 TAAR1 (0.44) MEN1KMT2AKDM4EALDH1A1MAPK14
SCHEMBL28477542 0.72 MAPK14 (0.49) MAPK14PDE3BPDE3A
SCHEMBL2753467 0.71 TTR (0.44) TTRMEN1KMT2AKDM4EUSP2
SCHEMBL2753388 0.71 CNR2 (0.35) KMT2AGRM5NPC1RAB9APDE3B
SCHEMBL4907036 0.71 LMNA (0.35) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 US disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 US disclosed
EP-2066643-A1 PYRIDAZIN-4-YLMETHYL-SULFONAMIDES USED AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2009-06-10 EP disclosed
EP-2064190-A1 PYRIMIDYLMETHYL-SULFONAMIDE COMPOUNDS USEFUL AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2009-06-03 EP disclosed
WO-2008062011-A1 PYRIMIDYLMETHYL-SULFONAMIDE COMPOUNDS USEFUL AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2008-05-29 WO disclosed
WO-2008062012-A1 PYRIDAZIN-4-YLMETHYL-SULFONAMIDES USED AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2008-05-29 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 (2 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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 TTR 1507/4885MEN1 2487/4885KMT2A 702/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 TTR 1642/4885MEN1 2802/4885KMT2A 388/4885

“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.