Sugi Predict

Sugi Predict / Compounds / SCHEMBL810348

SCHEMBL810348

SCHEMBL810348

CCCc1cc(C(=O)OCC)c(N)s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.77
▸ MAPK1 P28482 1/20 0.77
▸ MAPT P10636 8/20 0.56
▸ ALDH1A1 P00352 7/20 0.56
▸ HSD17B10 Q99714 5/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ ALOX15 P16050 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ HSP90AA1 P07900 1/20 0.50
▸ REV1 Q9UBZ9 1/20 0.47
▸ FHIT P49789 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42

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
SCHEMBL3113249 0.90 GAA (0.71) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL15277871 0.88 GAA (0.69) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL3113240 0.88 GAA (0.69) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL1976156 0.88 GAA (0.69) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL1976632 0.88 GAA (0.69) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL3107873 0.88 GAA (0.69) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL1973680 0.87 GAA (1.00) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL1970021 0.86 HSD17B10 (0.58) GAAMAPK1MAPTALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL10734146 0.84 HSD17B10 (0.57) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL3113232 0.83 GAA (0.66) GAAMAPK1MAPTALDH1A1HSD17B10

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864312-B1 NOVEL ANTI-CANCER THIOPHENE COMPOUNDS UNIV LEUVEN KATH (BE) 2021-09-22 — — EP claimed
US-9278958-B2 Anti-cancer compounds KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2016-03-08 — — US claimed
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS UNIVERSITA DEGLI STUDI DI FERRARA (IT) 2015-05-07 — — US claimed
EP-2864312-A2 NOVEL ANTI-CANCER COMPOUNDS Katholieke Universiteit Leuven (BE) 2015-04-29 — — EP claimed
WO-2013190137-A2 NOVEL ANTI-CANCER COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-12-27 — — WO claimed
EP-2864312-B1 NOVEL ANTI-CANCER THIOPHENE COMPOUNDS UNIV LEUVEN KATH (BE) 2021-09-22 — — EP disclosed
US-20160193216-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2016-07-07 — — US disclosed
US-9278958-B2 Anti-cancer compounds KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2016-03-08 — — US disclosed
US-9212190-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2015-12-15 — — US disclosed
WO-2015114663-A1 NOVEL THIENO [2,3-D]PYRIMIDIN-4(3H)-ONE COMPOUNDS WITH ANTIMYCOBACTERIAL PROPERTIES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-08-06 — — WO disclosed
WO-2015114663-A1 NOVEL THIENO [2,3-D]PYRIMIDIN-4(3H)-ONE COMPOUNDS WITH ANTIMYCOBACTERIAL PROPERTIES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-08-06 — — WO disclosed
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS UNIVERSITA DEGLI STUDI DI FERRARA (IT) 2015-05-07 — — US disclosed
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 — — US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 — — US disclosed
EP-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 — — EP disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 — — WO disclosed
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 — — US disclosed
EP-0234557-B1 3-(1H-Tetrazol-5-yl)thieno[2,3-d]pyrimidin-4(3H)-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1990-11-28 — — EP disclosed
US-4761474-A 3-(1H-tetrazol-5-yl)thieno[2,3-d]pyrimidin-4(3H)-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-02 — — US disclosed
EP-0234557-A1 3-(1H-Tetrazol-5-yl)thieno[2,3-d]pyrimidin-4(3H)-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1987-09-02 — — 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 (3 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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 GAA 4771/4885MAPK1 3516/4885MAPT 4002/4885
US-20160193216-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 GAA 2969/4885MAPK1 780/4885MAPT 1832/4885
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS ATP5F1A, TP53, ABCF1 GAA 1316/4885MAPK1 1882/4885MAPT 4801/4885

“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.