SCHEMBL16636950

SCHEMBL16636950

Cc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2ccccc2OC(F)F)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 6/20 0.38
HTT P42858 4/20 0.38
LMNA P02545 4/20 0.38
ALPL P05186 1/20 0.38
S1PR1 P21453 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL16636669 0.86 POLB (0.41) ALOX15ALDH1A1HTTNPC1RAB9A
SCHEMBL16636832 0.85 NPC1 (0.44) ALOX15MAPK1ALDH1A1HTTLMNA
SCHEMBL16636521 0.82 NPC1 (0.45) ALOX15MAPK1ALDH1A1HTTLMNA
SCHEMBL16636656 0.80 IL2 (0.49) ALDH1A1HTTGAAMAPTJAK2
SCHEMBL16644208 0.79 MAPK1 (0.40) ALOX15MAPK1ALDH1A1HTTLMNA
SCHEMBL16636934 0.78 IL2 (0.47) HTTGAAJAK2JAK1MEN1
SCHEMBL16636877 0.75 SMN1; SMN2 (0.38) ALOX15MAPK1HTTLMNANPC1
SCHEMBL16636486 0.72 IL2 (0.37) ALOX15MAPK1ALDH1A1HTTSMN1; SMN2
SCHEMBL16636706 0.70 MEN1 (0.47) ALDH1A1HTTLMNANPC1RAB9A
SCHEMBL16636692 0.70 SMN1; SMN2 (0.46) ALDH1A1HTTNPC1RAB9AGAA

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-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 US disclosed
WO-2015054283-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2015-04-16 WO 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-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALOX15 1014/4885MAPK1 2526/4885ALDH1A1 4409/4885

“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.