SCHEMBL16142145

SCHEMBL16142145

C=CC(=O)NCCSSCCNC(=O)/C=C/I

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PYGL P06737 1/20 0.32
TGM2 P21980 2/20 0.32
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL106883 0.88 TSHR (0.54) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL31224580 0.86 TSHR (0.52) ALDH1A1TSHRMAPK1TDP1ZDHHC20
Acrylamide SCHEMBL20553509 0.81 TSHR (0.46) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL2132212 0.79 TSHR (0.45) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL21506692 0.79 TSHR (0.52) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL21318126 0.78 ZDHHC20 (0.46) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL22861299 0.76 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL18884533 0.75 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL24628353 0.73 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL21318152 0.73 ZDHHC20 (0.41) ALDH1A1TSHRMAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802984-B2 Biomimetic peptide and biodegradable delivery platform for the treatment of angiogenesis- and lymphangiogenesis-dependent diseases THE JOHNS HOPKINS UNIVERSITY (US) 2017-10-31 US disclosed
US-9717694-B2 Peptide/particle delivery systems THE JOHNS HOPKINS UNIVERSITY (US) 2017-08-01 US disclosed
US-20170143639-A1 NANOCOMPOSITES OF GOLD AND POLYMERS THE JOHNS HOPKINS UNIVERSITY (US) 2017-05-25 US disclosed
US-20160122390-A1 A BIOMIMETIC PEPTIDE AND BIODEGRADABLE DELIVERY PLATFORM FOR THE TREATMENT OF ANGIOGENESIS- AND LYMPHANGIOGENESIS-DEPENDENT DISEASES THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-05 US disclosed
US-20140294909-A1 NANOCOMPOSITES OF GOLD AND POLYMERS THE JOHNS HOPKINS UNIVERSITY (US) 2014-10-02 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 (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-20160122390-A1 A BIOMIMETIC PEPTIDE AND BIODEGRADABLE DELIVERY PLATFORM FOR THE TREATMENT OF ANGIOGENESIS- AND LYMPHANGIOGENESIS-DEPENDENT DISEASES VEGFA, LRRFIP1, FLT1 ALDH1A1 3688/4885TSHR 2524/4885MAPK1 1822/4885
US-20170143639-A1 NANOCOMPOSITES OF GOLD AND POLYMERS HNRNPL, HNRNPLL, ACSL3 ALDH1A1 883/4885TSHR 1764/4885MAPK1 3583/4885
US-20140294909-A1 NANOCOMPOSITES OF GOLD AND POLYMERS HNRNPL, HNRNPLL, ACSL3 ALDH1A1 883/4885TSHR 1764/4885MAPK1 3583/4885

“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.