SCHEMBL1913895

SCHEMBL1913895

CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(Cc1ccccc1)C(N)=O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.57
BACE2 Q9Y5Z0 2/20 0.57
FCER2 P06734 2/20 0.55
CTSD P07339 1/20 0.55
MMP1 P03956 1/20 0.55
REN P00797 1/20 0.54
CTSB P07858 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
SCHEMBL7323888 0.97 FCER2 (0.58) BACE1BACE2FCER2CTSDMMP1
SCHEMBL7436799 0.93 FCER2 (0.62) FCER2MMP1REN
SCHEMBL7591633 0.89 FCER2 (0.66) FCER2MMP1REN
SCHEMBL2184039 0.89 FCER2 (0.66) FCER2MMP1REN
SCHEMBL19236819 0.89 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL29601744 0.89 BACE1 (0.60) BACE1BACE2CTSDCTSB
SCHEMBL10790323 0.89 BACE1 (0.60) BACE1BACE2CTSD
Hydrochloric Acid SCHEMBL7294265 0.88 FCER2 (0.65) FCER2MMP1REN
Hydrochloric Acid SCHEMBL7294268 0.88 FCER2 (0.65) FCER2MMP1REN
SCHEMBL17935594 0.88 BACE1 (0.57) BACE1BACE2CTSD

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-10898516-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN UNIVERSITY (US) 2021-01-26 US disclosed
US-10568851-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2020-02-25 US disclosed
US-10426773-B2 Systems pharmacology for treating ocular disorders CASE WESTERN UNIVERSITY (US) 2019-10-01 US disclosed
EP-2509596-B1 GAMMA AMINOACIDS FOR TREATING OCULAR DISORDERS UNIV CASE WESTERN RESERVE (US) 2019-08-28 EP disclosed
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY CASE WESTERN UNIVERSITY 2019-08-22 US disclosed
US-10272106-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN RESERVE UNIVERSITY (US) 2019-04-30 US disclosed
US-20190099420-A1 SYSTEMS PHARMACOLOGY FOR TREATING OCULAR DISORDERS CASE WESTERN UNIVERSITY 2019-04-04 US disclosed
US-10208049-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2019-02-19 US disclosed
US-10117868-B2 Systems pharmacology for treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2018-11-06 US disclosed
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2018-05-17 US disclosed
EP-3151818-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY Case Western Reserve University (US) 2017-04-12 EP disclosed
WO-2015187942-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY CASE WESTERN RESERVE UNIVERSITY (US) 2015-12-10 WO disclosed
US-20140357611-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2014-12-04 US disclosed
US-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-08-21 US disclosed
US-20140235562-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2014-08-21 US disclosed
US-8722669-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-13 US disclosed
WO-2013063269-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2013-05-02 WO disclosed
US-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-22 US disclosed
EP-2509596-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS Case Western Reserve University (US) 2012-10-17 EP disclosed
WO-2011071995-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2011-06-16 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 (13 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-20140235562-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, TXNRD2, TXNRD1 BACE1 1830/4885BACE2 764/4885FCER2 2161/4885
US-10426773-B2 Systems pharmacology for treating ocular disorders GRK1, MTNR1A, MTNR1B BACE1 1223/4885BACE2 897/4885FCER2 213/4885
US-20190255102-A1 COMPOSITIONS AND METHODS OF TREATING DIABETIC RETINOPATHY GPR119, ARRB1, GRK1 BACE1 2763/4885BACE2 2184/4885FCER2 1138/4885
US-10272106-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 BACE1 2763/4885BACE2 2184/4885FCER2 1138/4885
US-20190099420-A1 SYSTEMS PHARMACOLOGY FOR TREATING OCULAR DISORDERS GRK1, MTNR1A, MTNR1B BACE1 1223/4885BACE2 897/4885FCER2 213/4885
US-10117868-B2 Systems pharmacology for treating ocular disorders GRK1, MTNR1A, MTNR1B BACE1 1223/4885BACE2 897/4885FCER2 213/4885
US-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT BACE1 1804/4885BACE2 1465/4885FCER2 2496/4885
US-10568851-B2 Compounds and methods of treating ocular disorders ALDH1A2, TXNRD2, TXNRD1 BACE1 1830/4885BACE2 764/4885FCER2 2161/4885
US-20140357611-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, TYR, HRH2 BACE1 2108/4885BACE2 1423/4885FCER2 3294/4885
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT BACE1 1804/4885BACE2 1465/4885FCER2 2496/4885
US-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT BACE1 1804/4885BACE2 1465/4885FCER2 2496/4885
US-10208049-B2 Compounds and methods of treating ocular disorders ALDH1A2, NR2E3, LRAT BACE1 1804/4885BACE2 1465/4885FCER2 2496/4885
US-10898516-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 BACE1 2763/4885BACE2 2184/4885FCER2 1138/4885

“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.