SCHEMBL6582298

SCHEMBL6582298

C[Si](C)(C)O[C@@H](CC#N)COCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CTSS P25774 1/20 0.39
TACR1 P25103 2/20 0.39
SLC1A1 P43005 1/20 0.38
GHSR Q92847 5/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36

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
SCHEMBL27595694 1.00 TSHR (0.40) TSHRCA1CA2CA7CA9
SCHEMBL16320674 0.77 CTSS (0.46) CA1CA2CA7CA9CTSS
SCHEMBL4898269 0.76 TSHR (0.47) TSHRCA1CA2CA7CA9
SCHEMBL4907937 0.76 TSHR (0.47) TSHRCA1CA2CA7CA9
SCHEMBL4898264 0.76 TSHR (0.47) TSHRCA1CA2CA7CA9
SCHEMBL27686748 0.76 CA1 (0.62) TSHRCA1CA2CA7CA9
SCHEMBL8328277 0.76 CA1 (0.62) TSHRCA1CA2CA7CA9
SCHEMBL6580596 0.76 CA1 (0.62) TSHRCA1CA2CA7CA9
SCHEMBL3325707 0.76 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL1867639 0.76 TSHR (0.50) TSHRCA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1487936-A Medicinal compositions having improved absorbability ����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-20040053972-A1 Medicinal compositions having improved absorbability TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-18 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-1350793-A1 MEDICINAL COMPOSITIONS HAVING IMPROVED ABSORBABILITY Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
US-20020173526-A1 Heterocyclic compounds their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-21 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 (5 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 TSHR 908/4885CA1 2025/4885CA2 972/4885
US-20020173526-A1 Heterocyclic compounds their production and use ABL1, ROS1, MAPK1 TSHR 912/4885CA1 1865/4885CA2 845/4885
US-20040058956-A1 Pharmaceutical composition having an improved water solubility ERBB2, EGFR, ABCG2 TSHR 1790/4885CA1 1778/4885CA2 729/4885
US-20040138160-A1 Preventive/therapeutic method for cancer EGFR, ERBB2, ERBB3 TSHR 694/4885CA1 2468/4885CA2 964/4885
US-20040053972-A1 Medicinal compositions having improved absorbability EGFR, ERBB2, ERBB3 TSHR 2693/4885CA1 674/4885CA2 271/4885

“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.