SCHEMBL16339225

SCHEMBL16339225

Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)cc1)C(=O)CC1(CCC1)O2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 12/20 0.53
▸ RAF1 P04049 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ TNF P01375 1/20 0.43
▸ STIM1 Q13586 1/20 0.43
▸ ORAI1 Q96D31 1/20 0.43
▸ TRPM8 Q7Z2W7 2/20 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
▸ KDM4E B2RXH2 2/20 0.41
▸ HTT P42858 1/20 0.40
▸ ATM Q13315 1/20 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
SCHEMBL16339787 0.96 IL2 (0.53) IL2RAF1KCNH2TNFSTIM1
SCHEMBL17762912 0.94 IL2 (0.56) IL2RAF1KCNH2TNFSTIM1
SCHEMBL16339606 0.93 IL2 (0.49) IL2RAF1KCNH2TNFSTIM1
SCHEMBL17746852 0.90 IL2 (0.47) IL2RAF1KCNH2NPC1RAB9A
SCHEMBL16381688 0.88 IL2 (0.50) IL2RAF1KCNH2TNFSTIM1
SCHEMBL16381734 0.88 IL2 (0.49) IL2RAF1KCNH2TNFSTIM1
Hydrochloric Acid SCHEMBL16334767 0.88 IL2 (0.49) IL2RAF1KCNH2TNFSTIM1
SCHEMBL16340477 0.87 IL2 (0.47) IL2RAF1KCNH2TNFSTIM1
SCHEMBL16381670 0.86 IL2 (0.51) IL2RAF1KCNH2TNFSTIM1
SCHEMBL16340083 0.86 MAPT (0.44) IL2RAF1KCNH2TRPM8NPC1

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 8 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 claimed
US-20160137659-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-19 — — US claimed
EP-3013810-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS Lupin Limited (IN) 2016-05-04 — — EP claimed
WO-2014207648-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS LUPIN LIMITED (IN) 2014-12-31 — — WO claimed
US-9790231-B2 Chromane and chromene derivatives and their use as CRAC modulators LUPIN LIMITED (IN) 2017-10-17 — — US disclosed
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

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 3382/4885RAF1 835/4885KCNH2 153/4885

“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.

Send feedback