SCHEMBL6994913

SCHEMBL6994913

COC(=O)c1csc(C(C)=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA7 P43166 4/20 0.42
CA9 Q16790 4/20 0.42
CA14 Q9ULX7 4/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
CHEK1 O14757 1/20 0.41
MET P08581 1/20 0.41
GSK3B P49841 1/20 0.41
LIMK1 P53667 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.37
GAA P10253 3/20 0.37
POLB P06746 2/20 0.37

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
SCHEMBL16212681 0.81 GSK3B (0.43) CA12CA1CA2CA7CA9
SCHEMBL6999747 0.79 TSHR (0.41) CA12CA1CA2CA7CA9
SCHEMBL9375759 0.77 MAPT (0.46) CA12CA1CA2CA7CA9
SCHEMBL3230676 0.76 KDM4E (0.57) CA12CA1CA2CA7CA9
SCHEMBL17873718 0.76 KMT2A (0.50) TSHRKDM4EPOLBTDP1L3MBTL1
SCHEMBL27476911 0.75 CA2 (0.44) CA12CA1CA2CA7CA9
SCHEMBL8493851 0.74 CHEK1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL2454697 0.73 GSK3B (0.46) CA1CA2CHEK1METGSK3B
SCHEMBL30300589 0.73 KDM4E (0.46) CA12CA1CA2CA7CA9
SCHEMBL17202874 0.73 KDM4E (0.42) CHEK1METGSK3BLIMK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200445-B1 THIENOPYRANECARBOXAMIDE DERIVATIVES RECORDATI CHEM PHARM (IT) 2003-09-17 EP disclosed
US-20020193381-A1 Thienopyranecarboxamide derivatives RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY 2002-12-19 US disclosed
US-20020183290-A1 Adrenergic receptor antagonists selective for both alpha1A-and alpha1D-subtypes and uses therefor RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY 2002-12-05 US disclosed
US-6486163-B1 Thienopyranecarboxamide derivatives RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-11-26 US disclosed
WO-2002060534-A2 SELECTIVE ALPHA 1 ANTAGONISTS A + D RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2002-08-08 WO disclosed
US-6387909-B1 VISION DEFECTS; BENIGN PROSTATIC HYPERPLASIA RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-05-14 US disclosed
EP-1200445-A1 THIENOPYRANECARBOXAMIDE DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-05-02 EP disclosed
US-6306861-B1 ANTISPASMODIC AGENTS AND TREATMENT OF INCONSTANCE RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2001-10-23 US disclosed
WO-2001009140-A1 THIENOPYRANECARBOXAMIDE DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2001-02-08 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 (2 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-20020183290-A1 Adrenergic receptor antagonists selective for both alpha1A-and alpha1D-subtypes and uses therefor ADRB1, ADRA1D, ADRA1B CA12 4820/4885CA1 4707/4885CA2 3809/4885
US-20020193381-A1 Thienopyranecarboxamide derivatives ADRA1D, ADRB3, OPRD1 CA12 4640/4885CA1 4059/4885CA2 820/4885

“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.