SCHEMBL1490422

SCHEMBL1490422

O=C(Nc1csc(-c2ccc(Cl)cc2Cl)c1C(=O)O)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
MAPT P10636 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
PKM P14618 1/20 0.45
KCNK3 O14649 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 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
SCHEMBL12831065 0.91 KCNMA1 (0.50) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL1490595 0.88 KCNMA1 (0.51) L3MBTL1MAPTMEN1KMT2ACRHBP
SCHEMBL12831068 0.88 GRIK1 (0.57) L3MBTL1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1490743 0.88 KCNK3 (0.50) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL1490500 0.86 MEN1 (0.50) L3MBTL1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1490227 0.86 MEN1 (0.49) MAPTMEN1KMT2APOLBCRHBP
SCHEMBL1490428 0.85 MEN1 (0.52) L3MBTL1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL15477192 0.85 MEN1 (0.51) L3MBTL1MAPTMEN1KMT2ANPC1
SCHEMBL12831285 0.85 CA12 (0.43) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL1490605 0.83 KDM4E (0.45) MAPTMEN1KMT2APOLBCRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
US-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 US disclosed
EP-2477982-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2012-07-25 EP disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 WO disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 L3MBTL1 3943/4885AKR1C4 4607/4885AKR1C3 4578/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 L3MBTL1 3943/4885AKR1C4 4607/4885AKR1C3 4578/4885

“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.