SCHEMBL16381670

SCHEMBL16381670

Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)cc1)OC1(CNC1)CC2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 14/20 0.51
▸ TNF P01375 1/20 0.42
▸ STIM1 Q13586 1/20 0.42
▸ ORAI1 Q96D31 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ RAF1 P04049 2/20 0.40

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
Hydrochloric Acid SCHEMBL16334814 0.99 IL2 (0.51) IL2TNFSTIM1ORAI1NPC1
SCHEMBL16381688 0.91 IL2 (0.50) IL2TNFSTIM1ORAI1NPC1
Hydrochloric Acid SCHEMBL16334767 0.90 IL2 (0.49) IL2TNFSTIM1ORAI1NPC1
SCHEMBL16339787 0.90 IL2 (0.53) IL2TNFSTIM1ORAI1NPC1
SCHEMBL17762912 0.89 IL2 (0.56) IL2TNFSTIM1ORAI1NPC1
SCHEMBL16339632 0.88 IL2 (0.51) IL2TNFSTIM1ORAI1NPC1
SCHEMBL16339606 0.88 IL2 (0.49) IL2TNFSTIM1ORAI1NPC1
SCHEMBL16335445 0.87 IL2 (0.57) IL2TNFSTIM1ORAI1NPC1
SCHEMBL16381734 0.87 IL2 (0.49) IL2TNFSTIM1ORAI1HDAC3
SCHEMBL16335019 0.87 IL2 (0.49) IL2TNFSTIM1ORAI1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790231-B2 Chromane and chromene derivatives and their use as CRAC modulators LUPIN LIMITED (IN) 2017-10-17 — — US disclosed
US-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-19 — — US disclosed
US-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-19 — — US disclosed
WO-2014207648-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2014-12-31 — — 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-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS ORAI1, RYR2, RYR1 IL2 3382/4885TNF 2400/4885STIM1 25/4885

“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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