SCHEMBL2750867

SCHEMBL2750867

Fc1ccc(-c2cn[c]s2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.40
HSD17B2 P37059 3/20 0.40
NOTUM Q6P988 1/20 0.37
CYP17A1 P05093 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
TRPA1 O75762 3/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
STK17B O94768 1/20 0.32
NPY5R Q15761 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL9955273 0.76 HSD17B1 (0.45) HSD17B1HSD17B2NOTUMCYP17A1CYP11B1
SCHEMBL2097434 0.75 XDH (0.35) ALDH1A1CYP1A2GAARAB9ANPC1
SCHEMBL1900288 0.73 BACE1 (0.41) NOTUMCYP1A2RAB9ANPC1
SCHEMBL2751201 0.71 TSHR (0.33)
SCHEMBL17028871 0.70 IDO1 (0.46) NOTUMALDH1A1GAARAB9ANPY5R
SCHEMBL2750673 0.70 ALDH1A1 (0.40) CYP11B1CYP11B2ALDH1A1KDM4EMAPK1
SCHEMBL2751757 0.70 PDE4A (0.43) ALDH1A1GAARAB9ANPC1PDGFRB
SCHEMBL69540 0.70 KDR (0.40) ALDH1A1RAB9ANPC1MAPK1
SCHEMBL2751640 0.69 CA1 (0.32)
SCHEMBL28273966 0.69 DYRK1A (0.45) HSD17B1HSD17B2NOTUMCYP17A1CYP11B1

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-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

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 HSD17B1 4545/4885HSD17B2 4429/4885NOTUM 772/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 HSD17B1 3589/4885HSD17B2 3363/4885NOTUM 618/4885

“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.