SCHEMBL2751995

SCHEMBL2751995

Fc1ccc(F)c(-c2ccc[c]n2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
PTPN1 P18031 1/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
GRM5 P41594 1/20 0.33
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
CTSA P10619 1/20 0.31
NFE2L2 Q16236 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 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
SCHEMBL2752569 0.86 KMO (0.40) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL1202032 0.79 IDO1 (0.43) TGFBR1L3MBTL1CASP3SENP8SENP7
SCHEMBL4402521 0.73 L3MBTL1 (0.42) TGFBR1L3MBTL1CASP3SENP8SENP7
SCHEMBL11297134 0.73 GRM2 (0.37) CASP3SENP8SENP7SENP6MEN1
SCHEMBL2753611 0.73 BCAT1 (0.34) CTSAPDE3BPDE3A
SCHEMBL2753873 0.73 RAB9A (0.44) TGFBR1L3MBTL1NPC1ALDH1A1POLB
SCHEMBL2750541 0.72 GRM5 (0.35) GRM5
SCHEMBL2753974 0.71 TGFBR1 (0.33) TGFBR1L3MBTL1CASP3SENP8SENP7
SCHEMBL5845698 0.70 GRM5 (0.51) TGFBR1L3MBTL1CASP3SENP8SENP7
SCHEMBL2752586 0.70 TGFBR1 (0.43) TGFBR1L3MBTL1CASP3SENP8SENP7

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 TGFBR1 4791/4885L3MBTL1 1395/4885CASP3 1211/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 TGFBR1 3891/4885L3MBTL1 1289/4885CASP3 174/4885

“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.