SCHEMBL11308382

SCHEMBL11308382

O=C(O)C1=C(F)CS[C@H]2C(NC(=O)C(c3cccs3)S(=O)(=O)O)C(=O)N12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 3/20 0.50
▸ MAPT P10636 7/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ HSD17B10 Q99714 6/20 0.46
▸ TDP1 Q9NUW8 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ SLC15A2 Q16348 3/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ NR1I2 O75469 2/20 0.46
▸ CTDSP1 Q9GZU7 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ BLM P54132 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ADRA1A P35348 1/20 0.46

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
SCHEMBL11308379 1.00 PTPN11 (0.50) PTPN11MAPTALDH1A1HSD17B10TDP1
SCHEMBL11311685 0.89 ALDH1A1 (0.60) PTPN11MAPTALDH1A1HSD17B10TDP1
SCHEMBL11311683 0.89 ALDH1A1 (0.60) PTPN11MAPTALDH1A1HSD17B10TDP1
SCHEMBL11306257 0.86 MAPT (0.48) PTPN11MAPTALDH1A1HSD17B10TDP1
SCHEMBL11306255 0.86 MAPT (0.48) PTPN11MAPTALDH1A1HSD17B10TDP1
SCHEMBL11306012 0.77 TDP1 (0.69) PTPN11MAPTALDH1A1HSD17B10TDP1
SCHEMBL11306004 0.77 TDP1 (0.69) PTPN11MAPTALDH1A1HSD17B10TDP1
SCHEMBL11532436 0.76 MAPT (0.67) MAPTALDH1A1HSD17B10TDP1KDM4E
SCHEMBL11532440 0.76 MAPT (0.67) MAPTALDH1A1HSD17B10TDP1KDM4E
SCHEMBL11305702 0.75 ALDH1A1 (0.59) PTPN11MAPTALDH1A1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4281116-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-07-28 — — US disclosed
US-4260745-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1981-04-07 — — US disclosed
US-4208515-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1980-06-17 — — US disclosed
US-4064343-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-20 — — US disclosed
US-3962227-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 — — US disclosed
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