SCHEMBL3497629

SCHEMBL3497629

CC(C)(C)OC(=O)Nc1sc2ccccc2c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 2/20 0.55
ABCG2 Q9UNQ0 1/20 0.55
ACLY P53396 1/20 0.48
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
PRNP P04156 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38

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
SCHEMBL16817608 0.84 MAPT (0.49) ABCC1ABCG2LMNAMAPK1ACACB
SCHEMBL1098305 0.83 MEN1 (0.41) ABCC1ABCG2LMNAMAPK1ACACB
SCHEMBL16817403 0.83 FABP4 (0.53) ABCC1ABCG2LMNAMAPK1MEN1
SCHEMBL14317217 0.82 MAPT (0.46) MAPK1MEN1NPC1GAARAB9A
SCHEMBL7414469 0.82 PTGDR2 (0.42) ABCC1ABCG2LMNAACACBACACA
SCHEMBL3494188 0.81 MAPT (0.42) ABCC1ABCG2LMNAMAPK1ACACB
SCHEMBL8329259 0.80 ABCC1 (0.63) ABCC1ABCG2ACLYLMNAMAPK1
SCHEMBL3495969 0.80 METAP1 (0.42) ABCC1ABCG2ACACBACACAMEN1
SCHEMBL3493608 0.80 METAP1 (0.45) ABCC1ABCG2LMNAACACBACACA
SCHEMBL7426935 0.79 CYP1A2 (0.39) ABCC1ABCG2ACACBACACAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934280-B2 Condensed thiophene derivatives useful as NaPi-IIb inhibitors ELI LILLY AND COMPANY (US) 2021-03-02 US disclosed
US-10934280-B2 Condensed thiophene derivatives useful as NaPi-IIb inhibitors ELI LILLY AND COMPANY (US) 2021-03-02 US disclosed
CN-109563070-B Fused thiophene derivatives as NAPI-IIB inhibitors 伊莱利利公司 2021-02-26 CN disclosed
EP-3497091-B1 CONDENSED THIOPHENE DERIVATIVES USEFUL AS NAPI-IIB INHIBITORS LILLY CO ELI (US) 2020-10-07 EP disclosed
US-20200031813-A1 CONDENSED THIOPHENE DERIVATIVES USEFUL AS NAPI-IIB INHIBITORS ELI LILLY AND COMPANY 2020-01-30 US disclosed
US-20200031813-A1 CONDENSED THIOPHENE DERIVATIVES USEFUL AS NAPI-IIB INHIBITORS ELI LILLY AND COMPANY 2020-01-30 US disclosed
EP-3497091-A1 CONDENSED THIOPHENE DERIVATIVES USEFUL AS NAPI-IIB INHIBITORS Eli Lilly and Company (US) 2019-06-19 EP disclosed
WO-2018034883-A1 CONDENSED THIOPHENE DERIVATIVES USEFUL AS NAPI-IIB INHIBITORS ELI LILLY AND COMPANY (US) 2018-02-22 WO disclosed
US-9604977-B2 Bicyclic thiophenylamide compounds HOFFMAN-LA ROCHE INC. (US) 2017-03-28 US disclosed
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
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
US-20150175594-A1 NEW BICYCLIC THIOPHENYLAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-06-25 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP 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 (4 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-10934280-B2 Condensed thiophene derivatives useful as NaPi-IIb inhibitors SLC34A2, ALPI, SLC34A1 ABCC1 707/4885ABCG2 153/4885ACLY 3323/4885
US-20150175594-A1 NEW BICYCLIC THIOPHENYLAMIDE COMPOUNDS NAT1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, BICRA ABCC1 779/4885ABCG2 8/4885ACLY 1378/4885
US-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC ABCC1 822/4885ABCG2 1101/4885ACLY 56/4885
US-20200031813-A1 CONDENSED THIOPHENE DERIVATIVES USEFUL AS NAPI-IIB INHIBITORS SLC34A2, ALPI, SLC34A1 ABCC1 707/4885ABCG2 153/4885ACLY 3323/4885

“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.