SCHEMBL14803259

SCHEMBL14803259

Cc1ccc(-c2csc(NC(=O)c3nc4ccc(F)cc4s3)c2C(=O)O)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ ANO1 Q5XXA6 6/20 0.45
▸ ANO2 Q9NQ90 1/20 0.45
▸ NLRP3 Q96P20 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ SMYD3 Q9H7B4 2/20 0.40
▸ MAOB P27338 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39

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
SCHEMBL14803124 0.93 MEN1 (0.47) RAB9ANPC1MEN1KMT2AANO1
SCHEMBL14803348 0.92 MEN1 (0.46) RAB9ANPC1MEN1KMT2AANO1
SCHEMBL14803139 0.89 MAPT (0.51) RAB9ANPC1MEN1KMT2AANO1
SCHEMBL1954046 0.89 LMNA (0.49) RAB9ANPC1MEN1KMT2ANLRP3
SCHEMBL14803515 0.88 MEN1 (0.51) RAB9ANPC1MEN1KMT2AANO1
SCHEMBL14803292 0.87 MEN1 (0.47) RAB9ANPC1MEN1KMT2AANO1
SCHEMBL14818448 0.84 ANO1 (0.56) RAB9ANPC1MEN1KMT2AANO1
SCHEMBL14803519 0.84 ANO1 (0.46) RAB9ANPC1MEN1KMT2AANO1
SCHEMBL14803193 0.83 GRIN2C (0.43) RAB9ANPC1MEN1KMT2AANO1
SCHEMBL14803195 0.83 MEN1 (0.49) RAB9ANPC1MEN1KMT2AANO1

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-20130079348-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-03-28 — — US disclosed
US-20130079348-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-03-28 — — 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 (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-20130079348-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885MEN1 2958/4885

“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.

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