SCHEMBL2753333

SCHEMBL2753333

Fc1ccc(-c2c[c]cs2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.35
HSD17B2 P37059 5/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CNR1 P21554 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
DHFR P00374 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
TTR P02766 1/20 0.32
ALB P02768 1/20 0.32
HMGB1 P09429 1/20 0.32
HPGD P15428 1/20 0.32
CXCL12 P48061 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 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
SCHEMBL2751892 0.85 CA3 (0.33) ALDH1A1KDM4ELMNA
SCHEMBL2750545 0.70 BCAT1 (0.34)
SCHEMBL9135463 0.70 ALDH1A1 (0.52) ESR1ESR2ALDH1A1KDM4EMEN1
SCHEMBL4207045 0.69 MAPT (0.47) HSD17B1HSD17B2ALDH1A1KDM4EMEN1
SCHEMBL2753815 0.68 HSD17B1 (0.32) HSD17B1HSD17B2
SCHEMBL2753192 0.68 HSD17B1 (0.41) HSD17B1HSD17B2ALDH1A1KDM4E
SCHEMBL1416794 0.68 HSD17B1 (0.35) HSD17B1HSD17B2ESR1ESR2ALDH1A1
SCHEMBL436101 0.67 IDO1 (0.38) ALDH1A1KDM4EMEN1USP2DHFR
SCHEMBL2751454 0.67 AR (0.40)
SCHEMBL2751818 0.67 CES2 (0.39)

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 4429/4885ESR1 4490/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 HSD17B1 3589/4885HSD17B2 3363/4885ESR1 4679/4885

“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.