SCHEMBL14198796

SCHEMBL14198796

CNC(=O)[C@H](CC(C)C)NC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
MMP2 P08253 4/20 0.56
MMP9 P14780 3/20 0.56
MMP8 P22894 3/20 0.56
MMP1 P03956 3/20 0.54
MMP3 P08254 3/20 0.44
CNR2 P34972 2/20 0.44
ADAM17 P78536 1/20 0.44
MMP13 P45452 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS2 P35354 1/20 0.41
THPO P40225 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL23520330 1.00 ALDH1A1 (0.64) ALDH1A1MMP2MMP9MMP8MMP1
SCHEMBL251692 0.85 ALDH1A1 (0.67) ALDH1A1MMP2MMP9MMP8
SCHEMBL18762548 0.83 MMP2 (0.56) ALDH1A1MMP2MMP9MMP8MMP1
SCHEMBL28364562 0.83 MMP2 (0.56) ALDH1A1MMP2MMP9MMP8MMP1
SCHEMBL19545981 0.82 MMP1 (0.53) ALDH1A1MMP2MMP9MMP8MMP1
SCHEMBL21895921 0.82 MMP2 (0.58) ALDH1A1MMP2MMP9MMP8MMP1
SCHEMBL26131446 0.81 MMP9 (0.50) ALDH1A1MMP2MMP9MMP8MMP1
SCHEMBL12226978 0.80 MMP9 (0.51) ALDH1A1MMP2MMP9MMP8MMP1
SCHEMBL13822102 0.80 ALDH1A1 (0.72) ALDH1A1MMP1MEN1LMNAKMT2A
SCHEMBL8777100 0.80 ALDH1A1 (0.72) ALDH1A1MMP1MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11399611-B2 Process for straightening keratin fibres with a heating means and denaturing agents L'OREAL (FR) 2022-08-02 US disclosed
WO-2021115335-A1 COMPOUND AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2021-06-17 WO disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US 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 (5 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-11399611-B2 Process for straightening keratin fibres with a heating means and denaturing agents KRT18, KRTCAP2, TUBB4A ALDH1A1 2916/4885MMP2 488/4885MMP9 1940/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 ALDH1A1 364/4885MMP2 414/4885MMP9 829/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR ALDH1A1 340/4885MMP2 494/4885MMP9 850/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR ALDH1A1 362/4885MMP2 500/4885MMP9 864/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA ALDH1A1 140/4885MMP2 377/4885MMP9 1457/4885

“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.