SCHEMBL3047827

SCHEMBL3047827

CC(C)CC(C(=O)O)N(C)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.44
SLC7A5 Q01650 1/20 0.44
CPA1 P15085 2/20 0.41
ALDH1A1 P00352 2/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC1A1 P43005 1/20 0.36
NR4A2 P43354 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL3047828 1.00 RNPEP (0.44) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
SCHEMBL6361591 0.85 ALDH1A1 (0.46) CPA1ALDH1A1MAPTMEN1LMNA
SCHEMBL14890257 0.83 RNPEP (0.52) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
SCHEMBL10971592 0.83 RNPEP (0.46) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
SCHEMBL5596013 0.83 RNPEP (0.46) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
SCHEMBL244272 0.83 RNPEP (0.52) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
SCHEMBL244271 0.83 RNPEP (0.52) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
Hydrochloric Acid SCHEMBL3050176 0.81 RNPEP (0.50) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
SCHEMBL23205735 0.79 RNPEP (0.43) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
SCHEMBL7365108 0.79 RNPEP (0.43) RNPEPSLC7A5CPA1ALDH1A1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1248671-C Use of 3-position cyclosporin derivatives for hair growth LG HOUSEHOLD & HEALTH CARE LTD (KR) 2006-04-05 CN claimed
US-20140213508-A1 ANTIVIRAL MACROCYCLES SCYNEXIS, INC. (US) 2014-07-31 US disclosed
CN-102834409-A Cyclosporin analogues SCYNEXIS INC 2012-12-19 CN disclosed
CN-102307892-A Derivatives of cyclosporin A SCYNEXIS INC 2012-01-04 CN disclosed
US-7696167-B2 Cyclic peptide compound ASTELLAS PHARMA INC. (JP) 2010-04-13 US disclosed
EP-1814902-B1 Cyclosporine analogue ASTELLAS PHARMA INC (JP) 2008-10-22 EP disclosed
US-20080214447-A1 Cyclic Peptide Compound ASTELLAS PHARMA INC. (JP) 2008-09-04 US disclosed
EP-1814902-A1 NEW CYCLIC PEPTIDE COMPOUND Astellas Pharma Inc. (JP) 2007-08-08 EP disclosed
WO-2006054801-A1 NEW CYCLIC PEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2006-05-26 WO disclosed
CN-1491099-A Use of [gamma-hydroxy-N-methyl-L-leucine9] cyclosporin A for hair growth LG�������ʽ���� 2004-04-21 CN disclosed
EP-1392224-A1 THE USE OF NONIMMUNOSUPPRESSIVE EPSILON-HYDROXY-N-METHYL-L-LEUCINE-4 ] CYCLOSPORIN DERIVATIVES FOR TREATING HAIR LOSS LG Household & Health Care Ltd. (KR) 2004-03-03 EP disclosed
WO-2002092033-A1 THE USE OF NONIMMUNOSUPPRESSIVE [$G(G)-HYDROXY-N-METHYL-L-LEUCINE4] CYCLOSPORIN DERIVATIVES FOR TREATING HAIR LOSS LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2002-11-21 WO disclosed
CN-1373651-A Use of monimmunosuppressive cyclosporin A derivative for hair growth LG LIFE HEALTH CO LTD (KR) 2002-10-09 CN disclosed
EP-1229889-A1 USE OF A NONIMMUNOSUPPRESSIVE CYCLOSPORIN A DERIVATIVE FOR HAIR GROWTH LG Household & Health Care Ltd. (KR) 2002-08-14 EP disclosed
WO-2001035913-A1 USE OF A NONIMMUNOSUPPRESSIVE CYCLOSPORIN A DERIVATIVE FOR HAIR GROWTH LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2001-05-25 WO disclosed
EP-0778847-A4 IMMUNOSTIMULATORY AGENTS WISCONSIN ALUMNI RES FOUND (US) 1998-01-07 EP disclosed
EP-0778847-A1 IMMUNOSTIMULATORY AGENTS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1997-06-18 EP disclosed
WO-1996006857-A1 IMMUNOSTIMULATORY AGENTS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1996-03-07 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 (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-20140213508-A1 ANTIVIRAL MACROCYCLES HAVCR2, ICOS, ZC3HAV1 RNPEP 367/4885SLC7A5 2176/4885CPA1 563/4885
US-20080214447-A1 Cyclic Peptide Compound VIP, NGLY1, PROKR1 RNPEP 35/4885SLC7A5 1004/4885CPA1 32/4885

“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.