SCHEMBL6999747

SCHEMBL6999747

CC(=O)c1scc(C(=O)O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
PRNP P04156 1/20 0.38
PPARG P37231 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.35
GSK3B P49841 2/20 0.35
SELL P14151 1/20 0.34
SELP P16109 1/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL9590823 0.74 POLB (0.40) NPSR1ALDH1A1HPGDKDM4EGAA
SCHEMBL12261075 0.74 GSK3B (0.41) NPSR1ALDH1A1HPGDGSK3BCA2
SCHEMBL5150537 0.73 TSHR (0.46) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL12261119 0.72 MAPT (0.37) NPSR1RXFP1ALDH1A1HPGDKDM4E
SCHEMBL3239531 0.70 ALDH1A1 (0.47) TSHRRXFP1ALDH1A1HPGDKDM4E
SCHEMBL2808786 0.70 GSK3B (0.50) TSHRNPSR1RXFP1KDM4EGSK3B
SCHEMBL8083734 0.70 TSHR (0.43) TSHRRXFP1ALDH1A1HPGDKDM4E
SCHEMBL17479405 0.69 POLB (0.37) TSHRNPSR1RXFP1PRNPPPARG
SCHEMBL5478750 0.69 TSHR (0.33) TSHR
SCHEMBL5478740 0.69 TSHR (0.33) TSHR

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 TSHR 669/4885NPSR1 170/4885RXFP1 18/4885
US-20020193381-A1 Thienopyranecarboxamide derivatives ADRA1D, ADRB3, OPRD1 TSHR 444/4885NPSR1 150/4885RXFP1 375/4885

“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.