SCHEMBL16817587

SCHEMBL16817587

NC(=NOC(=O)c1c(NC(=O)O)sc2ccccc12)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC1 P33527 2/20 0.41
▸ ACACB O00763 10/20 0.38
▸ ACACA Q13085 10/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ACLY P53396 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34

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
SCHEMBL16817586 1.00 ABCC1 (0.41) ABCC1ACACBACACAABCG2LMNA
SCHEMBL16817400 0.85 ACACB (0.43) ABCC1ACACBACACAABCG2LMNA
SCHEMBL16817396 0.85 ACACB (0.43) ABCC1ACACBACACAABCG2LMNA
SCHEMBL16817398 0.85 ACACB (0.43) ABCC1ACACBACACAABCG2LMNA
SCHEMBL5460557 0.73 FLT3 (0.51) ABCC1ABCG2LMNAMAPK1SMN1; SMN2
SCHEMBL12903924 0.72 MAPT (0.60) ACACBACACALMNAMAPK1SMN1; SMN2
SCHEMBL5741331 0.71 ABCC1 (0.57) ABCC1ACACBACACAABCG2LMNA
SCHEMBL15699989 0.68 LMNA (0.58) ABCC1ACACBACACAABCG2LMNA
SCHEMBL5165471 0.66 IKBKB (0.51) ABCC1ACACBACACAABCG2LMNA
SCHEMBL5449307 0.66 NPC1 (0.46) ABCC1ACACBACACAABCG2LMNA

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 ABCC1 779/4885ACACB 2908/4885ACACA 1975/4885

“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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