SCHEMBL20062852

SCHEMBL20062852

NCc1nc2ccccc2n1CCCS(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
HTT P42858 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CXCR4 P61073 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 3/20 0.46
HPGD P15428 1/20 0.45
APEX1 P27695 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL13344490 0.86 TSHR (0.58) TSHRHTTALDH1A1SMN1; SMN2TP53
SCHEMBL13301446 0.82 ALDH1A1 (0.59) TSHRHTTALDH1A1SMN1; SMN2TP53
SCHEMBL30399076 0.80 LMNA (0.58) TSHRHTTALDH1A1SMN1; SMN2TP53
SCHEMBL16213836 0.78 TSHR (0.65) TSHRHTTALDH1A1CXCR4SMN1; SMN2
SCHEMBL7745194 0.77 SMN1; SMN2 (0.59) TSHRHTTALDH1A1SMN1; SMN2TP53
SCHEMBL8293951 0.76 POLB (0.66) TSHRHTTALDH1A1SMN1; SMN2TP53
SCHEMBL13478215 0.76 HTT (0.58) TSHRHTTALDH1A1CXCR4SMN1; SMN2
SCHEMBL10647581 0.75 POLB (0.59) TSHRHTTALDH1A1KDM4EKMT2A
SCHEMBL16213835 0.75 TSHR (0.51) TSHRHTTALDH1A1CXCR4SMN1; SMN2
SCHEMBL19618645 0.75 TSHR (0.48) TSHRHTTALDH1A1CXCR4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10220096-B2 Injectable and stable hydrogels with dynamic properties modulated by biocompatible catalysts THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-03-05 US disclosed
US-20180104348-A1 INJECTABLE AND STABLE HYDROGELS WITH DYNAMIC PROPERTIES MODULATED BY BIOCOMPATIBLE CATALYSTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2018-04-19 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 (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-10220096-B2 Injectable and stable hydrogels with dynamic properties modulated by biocompatible catalysts MMP1, F12, CD44 TSHR 2746/4885HTT 343/4885ALDH1A1 2426/4885
US-20180104348-A1 INJECTABLE AND STABLE HYDROGELS WITH DYNAMIC PROPERTIES MODULATED BY BIOCOMPATIBLE CATALYSTS MMP1, F12, CD44 TSHR 2746/4885HTT 343/4885ALDH1A1 2426/4885

“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.