SCHEMBL5757576

SCHEMBL5757576

CS(=O)(=O)OCCCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.61
LTA4H P09960 1/20 0.56
EPHX2 P34913 1/20 0.56
BCHE P06276 3/20 0.53
FFAR1 O14842 2/20 0.52
NPC1 O15118 1/20 0.52
AR P10275 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
FFAR4 Q5NUL3 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL8889394 0.99 MGLL (0.64) MGLLLTA4HEPHX2BCHEFFAR1
SCHEMBL3187746 0.96 MGLL (0.59) MGLLLTA4HEPHX2BCHEFFAR1
SCHEMBL5691423 0.90 AR (0.56) MGLLLTA4HEPHX2BCHEFFAR1
SCHEMBL4029326 0.88 MGLL (0.51) MGLLLTA4HEPHX2BCHEFFAR1
SCHEMBL2658522 0.87 KDM4E (0.56) FFAR1TDP1L3MBTL1
SCHEMBL5763177 0.86 MGLL (0.63) MGLLBCHEFFAR1
SCHEMBL23014971 0.85 KDM4E (0.54) TDP1L3MBTL1
SCHEMBL10390508 0.85 KDM4E (0.54) FFAR1TDP1L3MBTL1
SCHEMBL8435356 0.85 KDM4E (0.54) TDP1L3MBTL1
SCHEMBL6041286 0.85 KDM4E (0.54) TDP1L3MBTL1

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
CN-111961006-B Method for synthesizing intermediate of trilithiotinib triazole 同济大学 2023-03-28 CN disclosed
CN-111961006-A Method for synthesizing intermediate of trilithiotinib triazole 同济大学 2020-11-20 CN disclosed
EP-1270571-B1 Heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL (JP) 2006-09-06 EP disclosed
US-20040138160-A1 Preventive/therapeutic method for cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-15 US disclosed
US-20040116330-A1 Diagnosing or specifying a growth factor receptor expressed in cancer cells, and selectively inhibiting all or a part of the growth factor receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US disclosed
CN-1487935-A Improved water-soluble pharmaceutical compositions ����ҩƷ��ҵ��ʽ���� 2004-04-07 CN disclosed
US-6716863-B2 TYROSINE KINASE INHIBITORS; ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-06 US disclosed
US-20040058956-A1 Pharmaceutical composition having an improved water solubility TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-25 US disclosed
US-20040024035-A1 Heterocyclic compounds, their production and use TASAKA AKIHIRO (JP) 2004-02-05 US disclosed
EP-1350792-A1 MEDICINAL COMPOSITIONS IMPROVED IN SOLUBLITY IN WATER Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
EP-1270571-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP disclosed
EP-1268473-A1 OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
US-20020173526-A1 Heterocyclic compounds their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-21 US disclosed
CN-1349990-A Heterocyclic compound, its preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-05-22 CN disclosed
CN-1077107-C Heterocyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-02 CN disclosed
WO-2001077107-A1 OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-18 WO disclosed
US-6211215-B1 AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
CN-1223653-A Heterocyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-21 CN disclosed
EP-0912562-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-05-06 EP disclosed
WO-1998003505-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-29 WO 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-20040024035-A1 Heterocyclic compounds, their production and use ABL1, ROS1, MAPK1 MGLL 3518/4885LTA4H 4088/4885EPHX2 2703/4885
US-20020173526-A1 Heterocyclic compounds their production and use ABL1, ROS1, MAPK1 MGLL 3635/4885LTA4H 4252/4885EPHX2 2963/4885
US-20040058956-A1 Pharmaceutical composition having an improved water solubility ERBB2, EGFR, ABCG2 MGLL 2365/4885LTA4H 2521/4885EPHX2 2983/4885
US-20040138160-A1 Preventive/therapeutic method for cancer EGFR, ERBB2, ERBB3 MGLL 4006/4885LTA4H 3586/4885EPHX2 1905/4885

“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.