SCHEMBL4959983

SCHEMBL4959983

O=C(O)c1ccc2c(cnn2C#CCNc2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PLA2G4A P47712 1/20 0.32
▸ VNN1 O95497 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ AR P10275 1/20 0.31
▸ MAPK8 P45983 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ HSP90AB1 P08238 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ PABPC1 P11940 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL4960030 0.83 PLA2G4A (0.37) ACSS2PLA2G4A
SCHEMBL4958798 0.80 ITGB3 (0.45) —
SCHEMBL4959990 0.76 ACSS2 (0.34) ACSS2ALDH1A1HPGDLMNAPLA2G4A
SCHEMBL8683634 0.73 MAPK1 (0.34) MAPK1
SCHEMBL14271520 0.70 SLC22A12 (0.36) ACSS2ALDH1A1HPGDLMNAKDM4E
SCHEMBL27604788 0.68 HSD17B10 (0.41) ACSS2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL14271425 0.68 ITGB3 (0.52) —
SCHEMBL4960504 0.63 ACSS2 (0.38) ACSS2ALDH1A1HPGDGAA
SCHEMBL2732512 0.62 HDAC3 (0.40) ACSS2
SCHEMBL4388255 0.61 S1PR1 (0.40) LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332149-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-02-19 — — US disclosed
US-7321045-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-22 — — US disclosed
EP-1140203-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-05-23 — — EP disclosed
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-07-14 — — US disclosed
US-6838074-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-04 — — US disclosed
US-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT LANTHEUS MEDICAL IMAGING, INC. 2004-10-21 — — US disclosed
US-6794518-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-21 — — US disclosed
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 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-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT TNNI3, ASGR1, TNNT2 ACSS2 3584/4885ALDH1A1 4053/4885HPGD 3033/4885
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 ACSS2 2507/4885ALDH1A1 3303/4885HPGD 2094/4885

“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.

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