SCHEMBL186542

SCHEMBL186542

CC(C)CC1NCC(C(=O)O)NC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
MMP2 P08253 2/20 0.35
MMP7 P09237 2/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
HTT P42858 1/20 0.35
VDR P11473 1/20 0.34
ITGB1 P05556 6/20 0.33
ITGA4 P13612 6/20 0.33
ITGB2 P05107 5/20 0.33
ITGA1 P56199 4/20 0.33
ITGB7 P26010 3/20 0.33
GABRA4 P48169 3/20 0.33
ITGA5 P08648 2/20 0.33
ITGAM P11215 2/20 0.33
MMP3 P08254 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL28779150 0.88 CAD (0.33) HTT
SCHEMBL186665 0.80 CAD (0.46)
SCHEMBL186846 0.80 CAD (0.35) ITGB3ITGA2BHTTLMNACYP2C19
SCHEMBL186701 0.78 ITGB3 (0.40) ITGB3ITGA2BHTTITGB1ITGB2
Proline SCHEMBL11591714 0.77 KLK7 (0.43) MMP9LMNACYP3A4GAACYP2C9
SCHEMBL10186994 0.76 ALDH1A1 (0.42) ITGB3ITGA2BGAAMEN1ALDH1A1
SCHEMBL11902134 0.76 MEN1 (0.36) HTTMMP3LMNACYP3A4GAA
SCHEMBL11902192 0.76 MEN1 (0.36) HTTMMP3LMNACYP3A4GAA
SCHEMBL186487 0.75 ITGB3 (0.38) ITGB3ITGA2BCYP2C19ALDH1A1
SCHEMBL186077 0.75 NPSR1 (0.40) ITGB3ITGA2BLMNACYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012103113-A1 PYRAZINE AND IMIDAZOLIDINE DERIVATIVES AND THEIR USES TO TREAT HEPATITIS C GILEAD PHARMASSET, LLC (US) 2012-08-02 WO claimed
US-8114844-B2 Linear and cyclic melanocortin receptor-specific peptidomimetics PALATIN TECHNOLOGIES, INC. (US) 2012-02-14 US disclosed
EP-2004352-B1 AMINO ACID SURROGATES FOR PEPTIDIC CONSTRUCTS PALATIN TECHNOLOGIES INC (US) 2012-01-04 EP disclosed
EP-2004352-B1 AMINO ACID SURROGATES FOR PEPTIDIC CONSTRUCTS PALATIN TECHNOLOGIES INC (US) 2012-01-04 EP disclosed
US-20110263818-A1 Peptidic Constructs with Amino Acid Surrogates PALATIN TECHNOLOGIES, INC. (US) 2011-10-27 US disclosed
US-20110263818-A1 Peptidic Constructs with Amino Acid Surrogates PALATIN TECHNOLOGIES, INC. (US) 2011-10-27 US disclosed
US-7964181-B2 Amino acid surrogates for peptidic constructs PALATIN TECHNOLOGIES, INC. (US) 2011-06-21 US disclosed
US-7964181-B2 Amino acid surrogates for peptidic constructs PALATIN TECHNOLOGIES, INC. (US) 2011-06-21 US disclosed
US-7964181-B2 Amino acid surrogates for peptidic constructs PALATIN TECHNOLOGIES, INC. (US) 2011-06-21 US disclosed
US-20090069224-A1 Linear and Cyclic Melanocortin Receptor-Specific Peptidomimetics PALATIN TECHNOLOGIES, INC. (US) 2009-03-12 US disclosed
WO-2007115164-A9 AMINO ACID SURROGATES FOR PEPTIDIC CONSTRUCTS PALATIN TECHNOLOGIES INC (US) 2007-11-29 WO disclosed
US-20070260040-A1 Amino Acid Surrogates for Peptidic Constructs PALATIN TECHNOLOGIES, INC. (US) 2007-11-08 US disclosed
US-20070260040-A1 Amino Acid Surrogates for Peptidic Constructs PALATIN TECHNOLOGIES, INC. (US) 2007-11-08 US disclosed
US-20070260040-A1 Amino Acid Surrogates for Peptidic Constructs PALATIN TECHNOLOGIES, INC. (US) 2007-11-08 US disclosed
WO-2007115164-A2 AMINO ACID SURROGATES FOR PEPTIDIC CONSTRUCTS PALATIN TECHNOLOGIES, INC. (US) 2007-10-11 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 (3 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-20110263818-A1 Peptidic Constructs with Amino Acid Surrogates ARGLU1, QRFPR, ARG1 ITGB3 3374/4885ITGA2B 2688/4885MMP2 3551/4885
US-20070260040-A1 Amino Acid Surrogates for Peptidic Constructs ARGLU1, ARG1, QRFPR ITGB3 3628/4885ITGA2B 2641/4885MMP2 4099/4885
US-20090069224-A1 Linear and Cyclic Melanocortin Receptor-Specific Peptidomimetics MC1R, MC3R, MC5R ITGB3 4141/4885ITGA2B 4370/4885MMP2 4653/4885

“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.