Sugi Predict

Sugi Predict / Compounds / SCHEMBL1698501

SCHEMBL1698501

SCHEMBL1698501

CC(C)n1ccccc1=S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ LOX P28300 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ LOXL3 P58215 1/20 0.44
▸ LOXL4 Q96JB6 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL12676170 0.73 KDM4E (0.50) ALDH1A1HPGDKDM4ETSHRL3MBTL1
SCHEMBL1106502 0.71 MAPT (0.38) ALDH1A1MAPTTSHRHTTKMT2A
SCHEMBL18610680 0.68 — —
SCHEMBL21319401 0.68 — —
SCHEMBL7257017 0.67 — —
SCHEMBL13866759 0.67 IDO1 (0.32) —
SCHEMBL13866761 0.67 IDO1 (0.32) —
SCHEMBL13024159 0.67 HDAC8 (0.42) RAB9AALDH1A1MAPTHPGDKDM4E
SCHEMBL20363556 0.67 ESR1 (0.40) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL21106026 0.66 LPO (0.38) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278960-A1 NOVEL ACRIDINIUM SALT AND METHOD FOR PRODUCING SAME SHIONOGI & CO., LTD. (JP) 2023-09-07 — — US disclosed
US-20230278960-A1 NOVEL ACRIDINIUM SALT AND METHOD FOR PRODUCING SAME SHIONOGI & CO., LTD. (JP) 2023-09-07 — — US disclosed
US-20200247818-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2020-08-06 — — US disclosed
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. 2013-10-31 — — US disclosed
US-8349873-B2 Factor XA inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-01-08 — — US disclosed
US-8349873-B2 Factor XA inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-01-08 — — US disclosed
US-20120088795-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-04-12 — — US disclosed
US-20120088795-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-04-12 — — US disclosed
US-8063077-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 — — US disclosed
US-8063077-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 — — US disclosed
US-20110118244-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-19 — — US disclosed
US-20100249117-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-30 — — US disclosed
US-20100249117-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-30 — — US disclosed
US-7767697-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-03 — — US disclosed
US-7767697-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-03 — — US disclosed
US-7763608-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-27 — — US disclosed
US-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 — — US disclosed
US-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 — — US disclosed
WO-2007131179-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-11-15 — — WO disclosed
US-20070259924-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2007-11-08 — — 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 (8 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-20200247818-A1 STEREOSELECTIVE PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES RNGTT, CPSF6, ENDOD1 ESR1 2767/4885HSP90AA1 4567/4885MMP3 1010/4885
US-20090030045-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ESR1 3315/4885HSP90AA1 4441/4885MMP3 255/4885
US-20230278960-A1 NOVEL ACRIDINIUM SALT AND METHOD FOR PRODUCING SAME ATL3, CBR3, CLIC1 ESR1 3264/4885HSP90AA1 2893/4885MMP3 2385/4885
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD ESR1 2737/4885HSP90AA1 2036/4885MMP3 4372/4885
US-20110118244-A2 FACTOR XA INHIBITORS TFPI, F12, F11 ESR1 3315/4885HSP90AA1 4441/4885MMP3 255/4885
US-20100249117-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ESR1 3315/4885HSP90AA1 4441/4885MMP3 255/4885
US-20070259924-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ESR1 3315/4885HSP90AA1 4441/4885MMP3 255/4885
US-20120088795-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ESR1 3315/4885HSP90AA1 4441/4885MMP3 255/4885

“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.