SCHEMBL1954046

SCHEMBL1954046

Cc1ccc(-c2csc(NC(=O)c3nc4ccccc4s3)c2C(=O)O)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.49
▸ CCR6 P51684 1/20 0.49
▸ NPC1 O15118 6/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ PKM P14618 2/20 0.49
▸ NFKB1 P19838 2/20 0.49
▸ NFKB2 Q00653 2/20 0.49
▸ RELA Q04206 2/20 0.49
▸ MEN1 O00255 9/20 0.47
▸ KMT2A Q03164 9/20 0.47
▸ CYP2C9 P11712 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ CASP1 P29466 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ HBB P68871 1/20 0.46

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
SCHEMBL14803259 0.89 RAB9A (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL14803124 0.89 MEN1 (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL14803292 0.89 MEN1 (0.47) NPC1RAB9AMEN1KMT2ANLRP3
SCHEMBL1907536 0.88 RAB9A (0.49) LMNANPC1RAB9ASMN1; SMN2PKM
SCHEMBL14803348 0.88 MEN1 (0.46) NPC1RAB9AMEN1KMT2ACYP2C9
SCHEMBL14803123 0.87 MEN1 (0.44) LMNACCR6NPC1RAB9ASMN1; SMN2
SCHEMBL14803262 0.87 MEN1 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1951216 0.87 MEN1 (0.52) LMNACCR6NPC1RAB9ASMN1; SMN2
SCHEMBL1952279 0.87 MEN1 (0.48) NPC1RAB9ASMN1; SMN2PKMMEN1
SCHEMBL1898575 0.87 MEN1 (0.52) LMNACCR6NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130245025-A1 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-19 — — US disclosed
US-20130245025-A1 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-19 — — US disclosed
US-8394848-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-12 — — US disclosed
US-8394848-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-12 — — US disclosed
US-8383670-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-26 — — US disclosed
US-8383670-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-26 — — US disclosed
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-09-01 — — US disclosed
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-09-01 — — US disclosed
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-06-09 — — US disclosed
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-06-09 — — US disclosed
US-7906553-B2 Substituted thiophene modulators of intracellular calcium CALCIMEDICA, INC. (US) 2011-03-15 — — US disclosed
US-7906553-B2 Substituted thiophene modulators of intracellular calcium CALCIMEDICA, INC. (US) 2011-03-15 — — US disclosed
US-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-10-14 — — US disclosed
US-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-10-14 — — US disclosed
US-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-10-14 — — 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 (4 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-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 LMNA 1306/4885CCR6 4165/4885NPC1 262/4885
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 LMNA 1306/4885CCR6 4165/4885NPC1 262/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 LMNA 1306/4885CCR6 4165/4885NPC1 262/4885
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 LMNA 1306/4885CCR6 4165/4885NPC1 262/4885

“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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