SCHEMBL417814

SCHEMBL417814

CC[C@@H]1NC(=O)CNC1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.37
ITGB3 P05106 11/20 0.36
ITGA2B P08514 4/20 0.36
GHSR Q92847 2/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ITGAV P06756 8/20 0.31
ITGB5 P18084 7/20 0.31
HDAC8 Q9BY41 2/20 0.31
KEAP1 Q14145 1/20 0.31

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
SCHEMBL6948618 1.00 HRH3 (0.37) HRH3ITGB3ITGA2BGHSRALDH1A1
SCHEMBL31509521 0.83 GHSR (0.41) HRH3ITGB3ITGA2BGHSRITGAV
SCHEMBL2418713 0.80 ITGB3 (0.42) ITGB3ITGA2BALDH1A1ITGAVITGB5
SCHEMBL31509536 0.80 ITGB3 (0.42) ITGB3ITGA2BALDH1A1ITGAVITGB5
SCHEMBL4402037 0.80 HRH3 (0.38) HRH3ITGB3ITGA2BGHSRITGAV
SCHEMBL4410585 0.80 HRH3 (0.38) HRH3ITGB3ITGA2BGHSRITGAV
SCHEMBL12334338 0.80 HRH3 (0.38) HRH3ITGB3ITGA2BGHSRITGAV
SCHEMBL14156666 0.79 HRH3 (0.36) HRH3ITGB3ITGA2BGHSR
SCHEMBL4838771 0.79 HRH3 (0.36) HRH3ITGB3ITGA2BGHSR
SCHEMBL4838753 0.79 HRH3 (0.36) HRH3ITGB3ITGA2BGHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
EP-2368877-B1 Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection VERTEX PHARMA (US) 2014-05-07 EP disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-8252923-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-28 US disclosed
US-8247532-B2 Deuterated hepatitis C protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-21 US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
US-20110071074-A1 DEUTERATED HEPATITIS C PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-24 US disclosed
US-7820671-B2 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
US-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
US-20070225297-A1 Deuterated hepatitis C protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-27 US disclosed
EP-1758895-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-03-07 EP disclosed
US-20060019965-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-01-26 US disclosed
WO-2006009734-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-01-26 WO disclosed
US-6552029-B1 For therapy of rheumatoid arthritis, psoriasis, graft v. host disease, asthma, atopic dermatitis, allergic rhinitis, allergic conjunctivitis, complications following percutaneous transluminal coronary angioplasty, thrombosis CELLTECH R&D LIMITED (GB) 2003-04-22 US disclosed
EP-0934304-B1 2-PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 2003-02-26 EP disclosed
US-6114333-A 2-Pyrimidineamine derivatives and processes for their preparation CELLTECH THERAPEUTICS LTD. (GB) 2000-09-05 US disclosed
EP-0934304-A1 2-PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1999-08-11 EP disclosed
WO-1998018782-A1 2-PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1998-05-07 WO 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 (7 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-20070225297-A1 Deuterated hepatitis C protease inhibitors PEPD, CTRL, CTSC HRH3 1667/4885ITGB3 1970/4885ITGA2B 3221/4885
US-20060019965-A1 Gonadotropin releasing hormone receptor antagonists GNRHR, GHRHR, LHCGR HRH3 407/4885ITGB3 4614/4885ITGA2B 4712/4885
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD HRH3 3438/4885ITGB3 3006/4885ITGA2B 3786/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD HRH3 3438/4885ITGB3 3006/4885ITGA2B 3786/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD HRH3 3438/4885ITGB3 3006/4885ITGA2B 3786/4885
US-20110071074-A1 DEUTERATED HEPATITIS C PROTEASE INHIBITORS PEPD, CTRL, CTSC HRH3 1667/4885ITGB3 1970/4885ITGA2B 3221/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP HRH3 2763/4885ITGB3 2902/4885ITGA2B 3752/4885

“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.