SCHEMBL3023205

SCHEMBL3023205

CC(C)(C)C/C=C/C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
GABRR1 P24046 2/20 0.46
GABRR2 P28476 2/20 0.46
BLM P54132 2/20 0.46
GABRR3 A8MPY1 1/20 0.46
LMNA P02545 1/20 0.46
APEX1 P27695 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
HCAR2 Q8TDS4 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARA Q07869 1/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32

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
SCHEMBL3023206 1.00 TSHR (0.46) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL21521060 1.00 TSHR (0.46) TSHRGABRR1GABRR2BLMGABRR3
Glycine SCHEMBL6685295 0.89 TSHR (0.48) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL2467206 0.84 TSHR (0.46) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL2467205 0.84 TSHR (0.46) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL16431212 0.82 TSHR (0.44) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL16431213 0.82 TSHR (0.44) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL6319693 0.81 TSHR (0.39) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL6319691 0.81 TSHR (0.39) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL28637241 0.80 TSHR (0.42) TSHRGABRR1GABRR2BLMGABRR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265057-A1 INHIBITORS OF PARG ARASE THERAPEUTICS INC. 2023-08-24 US disclosed
US-8796256-B2 Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators JANSSEN PHARMACEUTICA NV (BE) 2014-08-05 US disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 US disclosed
US-20100204200-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2010-08-12 US disclosed
US-7732449-B2 Inhibitors of cathepsin S IRM LLC (BM) 2010-06-08 US disclosed
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP disclosed
US-20090137570-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-05-28 US disclosed
US-7501408-B2 Inhibitors of cathepsin S IRM LLC (BM) 2009-03-10 US disclosed
US-20080108595-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-05-08 US disclosed
US-7314872-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-01-01 US disclosed
EP-1658267-A4 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-08-01 EP disclosed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP disclosed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 US disclosed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 WO disclosed
US-5962002-A 1,1,4,4-SUBSTITUTED DIHYDRONAPHTHALENE COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1999-10-05 US disclosed
EP-0802730-B1 PESTICIDAL COMPOUNDS BTG INT LTD (GB) 1999-06-23 EP disclosed
EP-0802730-A1 PESTICIDAL COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1997-10-29 EP disclosed
WO-1996021355-A1 PESTICIDAL COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-07-18 WO disclosed
US-5153327-A 7-Oxabicycloheptyl substituted heterocyclic amide or ester prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E. R. SQUIBB & SONS, INC. (US) 1992-10-06 US disclosed
US-5100889-A Thromboxane A2 receptor antagonists, thromboxane synthetase inhibitor E. R. SQUIBB & SONS, INC. (US) 1992-03-31 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 (6 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-20090137570-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ TSHR 3750/4885GABRR1 3689/4885GABRR2 3600/4885
US-20230265057-A1 INHIBITORS OF PARG PARG, PARN, PLG TSHR 3125/4885GABRR1 3370/4885GABRR2 3022/4885
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA TSHR 339/4885GABRR1 1251/4885GABRR2 1072/4885
US-20080108595-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ TSHR 3750/4885GABRR1 3689/4885GABRR2 3600/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ TSHR 3750/4885GABRR1 3689/4885GABRR2 3600/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV TSHR 767/4885GABRR1 1417/4885GABRR2 1283/4885

“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.