SCHEMBL6016159

SCHEMBL6016159

CCOC(=O)CCc1ccc(C(=O)OC(C)(C)C)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
HPGD P15428 2/20 0.39
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRNP P04156 1/20 0.36
RECQL P46063 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL12662973 0.89 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC6CYP4F2
SCHEMBL8565291 0.83 LMNA (0.49) HPGDPOLBTDP1TSHRMAPK1
SCHEMBL15870705 0.83 CYP4F2 (0.50) HDAC3HDAC4HDAC1HDAC6CYP4F2
SCHEMBL6016206 0.81 CYP4F2 (0.47) CYP4F2CYP4A11HPGDPOLBTDP1
SCHEMBL963058 0.81 CYP4F2 (0.56) CYP4F2CYP4A11HPGDTSHRMAPK1
SCHEMBL26244529 0.79 HPGD (0.47) HDAC3HDAC4HDAC1HDAC6HPGD
SCHEMBL21199747 0.79 POLB (0.46) HDAC3HDAC4HDAC1HDAC6HPGD
SCHEMBL9439542 0.77 HPGD (0.67) HPGDPOLBTDP1TSHRMAPK1
SCHEMBL8570240 0.77 HPGD (0.43) HDAC3HDAC4HDAC1HDAC6CYP4F2
Hydrochloric Acid SCHEMBL2413233 0.77 HPGD (0.40) HDAC3HDAC4HDAC1HDAC6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086098-B1 THIENYL SUBSTITUTED ACYLGUANIDINES AS INHIBITORS OF BONE RESORPTION AND VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA GMBH (DE) 2006-04-05 EP disclosed
US-6660728-B2 Thienyl substituted acylguanidines as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-09 US disclosed
US-20030153557-A1 Thienyl substituted acylguanidines as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA DEUTSCHLAND GMBH AND GENENTECH, INC. 2003-08-14 US disclosed
US-6566366-B1 For therapy of tumor growth, osteoporosis, inflammation and cardiovascular disorders AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-20 US disclosed
EP-1086098-A1 THIENYL SUBSTITUTED ACYLGUANIDINES AS INHIBITORS OF BONE RESORPTION AND VITRONECTIN RECEPTOR ANTAGONISTS Aventis Pharma Deutschland GmbH (DE) 2001-03-28 EP disclosed
EP-0960882-A1 Thienyl substituted acylguanidines as inhibitors of bone resorption and vitronectin receptor antagonists Hoechst Marion Roussel Deutschland GmbH (DE) 1999-12-01 EP disclosed
WO-1999059992-A1 THIENYL SUBSTITUTED ACYLGUANIDINES AS INHIBITORS OF BONE RESORPTION AND VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-11-25 WO disclosed
EP-0530579-B1 Condensed pyrimidine derivatives antitumor agents EISAI CO LTD (JP) 1998-11-11 EP disclosed
US-5688800-A ANTITUMOR AGENTS EISAI CO., LTD. (JP) 1997-11-18 US disclosed
US-5554615-A ANTITUMOR EISAI CO., LTD. (JP) 1996-09-10 US disclosed
CN-1070402-A The pyrimidine derivatives of condensation EISAI CO LTD (JP) 1993-03-31 CN disclosed
EP-0530579-A1 Condensed pyrimidine derivatives antitumor agents Eisai Co., Ltd. (JP) 1993-03-10 EP 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 (1 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-20030153557-A1 Thienyl substituted acylguanidines as inhibitors of bone resorption and vitronectin receptor antagonists ASGR1, PTMS, B3GNT2 HDAC3 844/4885HDAC4 1385/4885HDAC1 759/4885

“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.