SCHEMBL2597430

SCHEMBL2597430

CC(C)(C)OC(=O)OC[O]

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
ELANE P08246 1/20 0.36
DGAT1 O75907 1/20 0.36
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 1/20 0.31
GAA P10253 2/20 0.31
SOAT1 P35610 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL304157 0.82 HDAC6 (0.36) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL12519845 0.81 HDAC6 (0.38) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL8861379 0.80 HDAC6 (0.35) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL187396 0.79 ALDH1A1 (0.60) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL6754575 0.79 HDAC6 (0.37) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL17215147 0.78 HDAC6 (0.34) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL12306265 0.77 HDAC6 (0.36) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL5965000 0.77 HDAC6 (0.36) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL314306 0.77 HDAC6 (0.36) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL4393654 0.77 HDAC6 (0.40) HDAC6HDAC1HDAC2ELANEDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140203-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-05-23 EP claimed
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-07-14 US claimed
US-6838074-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-04 US claimed
US-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT LANTHEUS MEDICAL IMAGING, INC. 2004-10-21 US claimed
US-6489333-B2 HETEROCYCLIC COMPOUNDS CONTAINING A GUANIDINE MIMIC, FOR INHIBITION OF CELL ADHESION, TREATMENT OF ANGIOGENESIS DISORDERS, INFLAMMATION, CANCER METASTASIS, DIABETIC RETINOPATHY, THROMBOSIS, RESTENOSIS, MACULAR DEGENERATION BRISTOL - MEYERS SQUIBB PHARMA COMPANY 2002-12-03 US claimed
US-6476226-B2 PLATELET GLYCOPROTEIN IIB/IIIA FIBRINOGEN; ANTICOAGULANTS; THROMBOLYTIC AGENTS; THROMBOEMBOLIC DISORDERS; ANTIINFLAMMATORY AGENTS; BONE DISORDERS; ANTITUMOR, -METASTASIS, -ARTHRITIC AGENTS; ASTHMA; PSORIASIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-05 US claimed
US-6455560-B1 SUBSTITUTED (1-((3-ISOXAZOLIN-5-YL)CARBONYL/METHYL) -4-PIPERIDINYL) ACETIC ACID FOR USE IN INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND FOR INHIBITING THE AGGREGATION OF BLOOD PLATELETS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-24 US claimed
US-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-18 US claimed
US-20020082253-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-27 US claimed
US-6322770-B1 FOR DIAGNOSIS AND TREATMENT OF CANCER, IMAGING TUMORS, MONITORING THERAPEUTIC ANGIOGENESIS TREATMENT AND DESTRUCTION OF NEW ANGIOGENIC VASCULATURE; COMPRISED OF TARGETING MOIETY THAT BINDS TO RECEPTOR AND RADIOISOTOPE DUPONT PHARMACEUTICALS COMPANY 2001-11-27 US claimed
US-5668159-A ANTICOAGULANTS FOR CARDIOVASCULAR DISORDERS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-09-16 US claimed
WO-1997023480-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-07-03 WO claimed
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 WO claimed
WO-1996037482-A1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO claimed
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO claimed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP claimed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 WO claimed
US-4914129-A Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups CIBA-GEIGY CORPORATION (US) 1990-04-03 US claimed
US-4889869-A ANTIALDOSTERONISM AGENTS CIBA-GEIGY CORPORATION (US) 1989-12-26 US claimed
US-4758584-A Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups CIBA-GEIGY CORPORATION (US) 1988-07-19 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT TNNI3, ASGR1, TNNT2 HDAC6 3777/4885HDAC1 4452/4885HDAC2 4003/4885
US-20020082253-A1 Novel isoxazoline fibrinogen receptor antagonists FGB, F2, F13B HDAC6 3840/4885HDAC1 3200/4885HDAC2 3911/4885
US-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists F13B, F11, FGB HDAC6 2310/4885HDAC1 1855/4885HDAC2 2323/4885
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 HDAC6 3019/4885HDAC1 3181/4885HDAC2 3398/4885

“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.