SCHEMBL1230833

SCHEMBL1230833

O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC[N+](CC(=O)O)(CC(=O)O)Cc1ccc(N=C=S)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
P2RY6 Q15077 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
OPRD1 P41143 1/20 0.33

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
SCHEMBL1149469 0.90 P2RY6 (0.42) HSD17B10P2RY6TDP1KDM4ELMNA
SCHEMBL7209073 0.82 HSD17B10 (0.36) HSD17B10P2RY6KDM4EOPRD1CA1
SCHEMBL2597556 0.81 TDP1 (0.44) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL668012 0.80 TDP1 (0.41) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL7205496 0.80 P2RY6 (0.53) HSD17B10P2RY6TDP1KDM4ELMNA
SCHEMBL7202500 0.80 HSD17B10 (0.46) HSD17B10P2RY6TDP1KDM4ELMNA
SCHEMBL1462666 0.78 HSD17B10 (0.42) HSD17B10P2RY6OPRD1CA1CA2
SCHEMBL7367941 0.76 KCNH2 (0.51) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL6574053 0.76 OPRD1 (0.33) HSD17B10P2RY6OPRD1
SCHEMBL9278053 0.75 P2RY6 (0.52) HSD17B10P2RY6TDP1TSHROPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4824986-A Metal chelate protein conjugate THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1989-04-25 US claimed
EP-0220279-A1 METHOD OF FORMING A METAL CHELATE PROTEIN CONJUGATE GANSOW, Otto A. (US) 1987-05-06 EP claimed
WO-1986006384-A1 METHOD OF FORMING A METAL CHELATE PROTEIN CONJUGATE GANSOW OTTO A (US) 1986-11-06 WO claimed
EP-3736264-A1 A NON-RADIOACTIVE IMMUNO-ASSAY FOR 3,5-DIIODO-O-[3-IODOPHENYL]-L-TYROSINE DETECTION AND QUANTITATION Bracco Imaging SPA (IT) 2020-11-11 EP disclosed
EP-3260443-B1 A PHARMACEUTICAL COMPOSITION COMPRISING A SULFATED DERIVATIVE OF 3,5-DIIODO-O-[3-IODOPHENYL]-L-TYROSINE BRACCO IMAGING SPA (IT) 2020-10-07 EP disclosed
US-10457635-B2 Process for the preparation of a sulfated derivative of 3,5-diiodo-o-[3-iodophenyl]-l-tyrosine BRACCO IMAGING S.P.A. (IT) 2019-10-29 US disclosed
US-10238615-B2 3,5,3′-triiodothyronine sulfate as thyromimetic agent and pharmaceutical formulations thereof BRACCO S.P.A. (IT) 2019-03-26 US disclosed
US-10137208-B2 Vivo tumor targeting and spectroscopic detection with surface-enhanced raman nanoparticle tags EMORY UNIVERSITY (US) 2018-11-27 US disclosed
US-20180118669-A1 Process For The Preparation Of A Sulfated Derivative Of 3,5-Diiodo-O-[3-Iodophenyl]-L-Tyrosine BRACCO IMAGING S.P.A. (IT) 2018-05-03 US disclosed
US-9890116-B2 Process for the preparation of a sulfated derivative of 3,5-diiodo-O-[3-iodophenyl]-L-tyrosine BRACCO IMAGING S.P.A. (IT) 2018-02-13 US disclosed
EP-3260443-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A SULFATED DERIVATIVE OF 3,5-DIIODO-O-[3-IODOPHENYL]-L-TYROSINE Bracco Imaging SPA (IT) 2017-12-27 EP disclosed
US-5338532-A Star polymer as carrier for drugs, agricultural compounds THE DOW CHEMICAL COMPANY (US) 1994-08-16 US disclosed
US-5271924-A Low molecular weight polysaccharide complexes for nuclear magnetic resonance imaging NIHON MEDI-PHYSICS CO., LTD. (JP) 1993-12-21 US disclosed
EP-0420942-A1 MACROCYCLIC BIFUNCTIONAL CHELANTS, COMPLEXES THEREOF AND THEIR ANTIBODY CONJUGATES THE DOW CHEMICAL COMPANY (US) 1991-04-10 EP disclosed
EP-0353450-A1 Macrocyclic bifunctional chelants, complexes thereof and their antibody conjugates THE DOW CHEMICAL COMPANY (US) 1990-02-07 EP disclosed
WO-1989012631-A1 MACROCYCLIC BIFUNCTIONAL CHELANTS, COMPLEXES THEREOF AND THEIR ANTIBODY CONJUGATES THE DOW CHEMICAL COMPANY (US) 1989-12-28 WO disclosed
US-4824986-A Metal chelate protein conjugate THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1989-04-25 US disclosed
EP-0271180-A1 Starburst conjugates THE DOW CHEMICAL COMPANY (US) 1988-06-15 EP disclosed
WO-1988001179-A1 STARBURST CONJUGATES THE DOW CHEMICAL COMPANY (US) 1988-02-25 WO disclosed
WO-1988001178-A1 STARBURST CONJUGATES THE DOW CHEMICAL COMPANY (US) 1988-02-25 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 (3 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-10457635-B2 Process for the preparation of a sulfated derivative of 3,5-diiodo-o-[3-iodophenyl]-l-tyrosine TH, TYRO3, TYR HSD17B10 2512/4885P2RY6 875/4885TDP1 3140/4885
US-20180118669-A1 Process For The Preparation Of A Sulfated Derivative Of 3,5-Diiodo-O-[3-Iodophenyl]-L-Tyrosine TH, TYRO3, TYR HSD17B10 2512/4885P2RY6 875/4885TDP1 3140/4885
US-10238615-B2 3,5,3′-triiodothyronine sulfate as thyromimetic agent and pharmaceutical formulations thereof TPO, THRA, THRB HSD17B10 546/4885P2RY6 3310/4885TDP1 1151/4885

“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.