SCHEMBL1490660

SCHEMBL1490660

O=C(CCc1cccc(F)c1)Nc1csc(-c2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.48
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
RAB9A P51151 3/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 2/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
FPR2 P25090 1/20 0.40
SENP1 Q9P0U3 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GRK2 P25098 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1490658 0.90 HCAR2 (0.48) HCAR2HDAC1HDAC6RAB9APOLB
SCHEMBL1490421 0.89 HCAR2 (0.46) HCAR2HDAC1HDAC6RAB9APOLB
SCHEMBL1490744 0.88 HDAC2 (0.47) HCAR2HDAC1HDAC6RAB9APOLB
SCHEMBL15479106 0.88 HCAR2 (0.48) HCAR2RAB9APOLBNPC1SENP1
SCHEMBL1490596 0.88 HCAR2 (0.53) HCAR2HDAC1HDAC6RAB9APOLB
SCHEMBL1490391 0.87 HDAC1 (0.44) HCAR2HDAC1HDAC6RAB9APOLB
SCHEMBL12756645 0.85 HCAR2 (0.50) HCAR2HDAC1HDAC6RAB9APOLB
SCHEMBL15480664 0.85 HCAR2 (0.45) HCAR2HDAC1HDAC6RAB9APOLB
SCHEMBL12756630 0.84 HCAR2 (0.41) HCAR2HDAC1HDAC6RAB9APOLB
SCHEMBL1490571 0.84 HCAR2 (0.59) HCAR2HDAC6RAB9APOLBNPC1

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 7 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-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
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 HCAR2 343/4885HDAC1 2696/4885HDAC6 1662/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HCAR2 343/4885HDAC1 2696/4885HDAC6 1662/4885

“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.