SCHEMBL6998950

SCHEMBL6998950

CCCCOc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.79
ITGA2B P08514 11/20 0.79
PTPN1 P18031 3/20 0.58
ITGB1 P05556 3/20 0.58
ITGA4 P13612 3/20 0.58
ACE P12821 1/20 0.57
HDAC8 Q9BY41 1/20 0.54

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
SCHEMBL6685168 1.00 ITGB3 (0.79) ITGB3ITGA2BPTPN1ITGB1ITGA4
SCHEMBL7335757 0.96 ITGB3 (0.74) ITGB3ITGA2BPTPN1ITGB1ITGA4
SCHEMBL7330647 0.96 ITGB3 (0.74) ITGB3ITGA2BPTPN1ITGB1ITGA4
SCHEMBL18764418 0.92 ITGB3 (0.78) ITGB3ITGA2BPTPN1ITGA4ACE
SCHEMBL23302994 0.91 ITGB3 (0.76) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL23302993 0.91 ITGB3 (0.76) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL7300335 0.91 ITGB3 (0.76) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL3713178 0.90 ITGB3 (0.71) ITGB3ITGA2BPTPN1ITGB1ITGA4
SCHEMBL3188805 0.90 ITGB3 (0.71) ITGB3ITGA2BPTPN1ITGB1ITGA4
SCHEMBL1000744 0.90 ITGB3 (0.71) ITGB3ITGA2BPTPN1ITGB1ITGA4

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
CN-115053184-A Composition for forming EUV resist underlayer film 日产化学株式会社 2022-09-13 CN disclosed
CN-107021943-B 7-epi-baccatin III derivatives, and preparation method and application thereof 中国科学院上海药物研究所 2020-12-29 CN disclosed
US-9266853-B2 Orally available viridiofungin derivative possessing anti-HCV activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-02-23 US disclosed
US-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-07-30 US disclosed
EP-2886530-A1 ORALLY ADMINISTRABLE VIRIDIOFUNGIN DERIVATIVE HAVING ANTI-HCV ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 2015-06-24 EP disclosed
US-8183383-B2 Protein tyrosine phosphatase 1B inhibitor, preparation methods and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2012-05-22 US disclosed
US-20100197927-A1 Protein Tyrosine Phosphatase 1B Inhibitor, Preparation Methods and Uses Thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (JP) 2010-08-05 US disclosed
EP-2133342-A1 PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR, PREPARATION METHODS AND USES THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2009-12-16 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 (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-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY ZC3HAV1, SLC10A1, CYP51A1 ITGB3 2937/4885ITGA2B 3346/4885PTPN1 3001/4885
US-20100197927-A1 Protein Tyrosine Phosphatase 1B Inhibitor, Preparation Methods and Uses Thereof PTPA, PTPN7, PTPN5 ITGB3 4715/4885ITGA2B 3983/4885PTPN1 4/4885

“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.