SCHEMBL16848895

SCHEMBL16848895

CC(C)(C)OC(=O)Nc1sc2c(c1C(=O)O/N=C(\N)C1CC1)CCCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 7/20 0.50
▸ FLT3 P36888 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ CXCR2 P25025 1/20 0.48
▸ ANO1 Q5XXA6 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CNR2 P34972 2/20 0.44
▸ DUSP3 P51452 1/20 0.44
▸ PTPN5 P54829 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44

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
SCHEMBL13631324 0.78 ALDH1A1 (0.56) MAPTHSD17B10KDM4EALDH1A1FLT3
SCHEMBL12057595 0.78 PTPN1 (0.62) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL16817398 0.77 ACACB (0.43) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL16817400 0.77 ACACB (0.43) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL16817396 0.77 ACACB (0.43) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL12057606 0.77 PTPN1 (0.63) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL12057605 0.76 MAPT (0.74) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL12057591 0.72 ALDH1A1 (0.58) MAPTHSD17B10ALDH1A1HPGDTSHR
SCHEMBL12057607 0.72 ALDH1A1 (0.58) MAPTHSD17B10ALDH1A1HPGDTSHR
SCHEMBL16848805 0.71 ALDH1A1 (0.50) MAPTHSD17B10KDM4EALDH1A1FLT3

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-9604977-B2 Bicyclic thiophenylamide compounds HOFFMAN-LA ROCHE INC. (US) 2017-03-28 — — US disclosed
EP-2861574-B1 NEW BICYCLIC THIOPHENYLAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2016-04-20 — — EP disclosed
US-20150175594-A1 NEW BICYCLIC THIOPHENYLAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-06-25 — — 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 (1 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-20150175594-A1 NEW BICYCLIC THIOPHENYLAMIDE COMPOUNDS NAT1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, BICRA MAPT 2436/4885HSD17B10 2976/4885KDM4E 2136/4885

“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.

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