SCHEMBL17874464

SCHEMBL17874464

Cc1cc(O)c2sc(C)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.43
RAB9A P51151 9/20 0.42
NPC1 O15118 8/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
GAA P10253 2/20 0.39
SELL P14151 1/20 0.39
SELP P16109 1/20 0.39
SELE P16581 1/20 0.39
ACHE P22303 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
APP P05067 1/20 0.36
LDHA P00338 1/20 0.36

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
SCHEMBL13734585 0.82 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL17102374 0.81 NPC1 (0.39) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL21165525 0.81 RAB9A (0.39) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL2171105 0.79 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL16437413 0.76 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL4857995 0.73 APP (0.50) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL16441993 0.71 LTA4H (0.41) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL16437408 0.68 SELL (0.39) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL12046198 0.67 GAA (0.52) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL1608822 0.67 SMN1; SMN2 (0.68) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 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-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN SMN1; SMN2 3271/4885RAB9A 3273/4885NPC1 4638/4885
US-10005774-B2 Syk inhibitors SYK, BTK, LYN SMN1; SMN2 3271/4885RAB9A 3273/4885NPC1 4638/4885

“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.