SCHEMBL19002224

SCHEMBL19002224

CCn1c(C)nc2cc(S(N)(=O)=O)ccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.69
LMNA P02545 3/20 0.69
HTT P42858 3/20 0.69
CYP1A2 P05177 1/20 0.69
GAA P10253 1/20 0.69
TSHR P16473 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.64
KDM4E B2RXH2 3/20 0.63
APOBEC3A P31941 1/20 0.63
APOBEC3G Q9HC16 1/20 0.63
HPGD P15428 1/20 0.60
RAD52 P43351 1/20 0.60
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 2/20 0.56
TDP1 Q9NUW8 1/20 0.55
CA12 O43570 2/20 0.55
CA9 Q16790 2/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CNR2 P34972 1/20 0.52

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
SCHEMBL11561647 0.87 SMN1; SMN2 (0.71) SMN1; SMN2LMNAHTTCYP1A2GAA
SCHEMBL11561130 0.83 GAA (0.78) SMN1; SMN2LMNAHTTCYP1A2GAA
SCHEMBL18997335 0.82 CNR2 (0.58) SMN1; SMN2LMNAHTTCYP1A2GAA
SCHEMBL11560381 0.82 LMNA (1.00) SMN1; SMN2LMNAHTTCYP1A2GAA
SCHEMBL19002225 0.82 CNR2 (0.58) SMN1; SMN2LMNAHTTCYP1A2GAA
SCHEMBL11561792 0.82 CYP1A2 (1.00) SMN1; SMN2LMNAHTTCYP1A2GAA
SCHEMBL3728185 0.80 CA1 (0.71) SMN1; SMN2LMNAHTTCYP1A2GAA
SCHEMBL23222181 0.80 ALDH1A1 (0.50) SMN1; SMN2LMNAHTTCYP1A2GAA
SCHEMBL11557237 0.80 LMNA (0.85) SMN1; SMN2LMNAHTTCYP1A2GAA
SCHEMBL6169701 0.78 ALOX5AP (0.49) SMN1; SMN2LMNAHTTCYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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 (1 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 SMN1; SMN2 4331/4885LMNA 3509/4885HTT 4394/4885

“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.