SCHEMBL16019777

SCHEMBL16019777

Cc1cc2c(cc1-c1ccc(NC(=O)c3ocnc3C)cc1)OC(F)(F)O2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.53
▸ HSD17B10 Q99714 6/20 0.53
▸ LMNA P02545 5/20 0.53
▸ NPC1 O15118 5/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ KMT2A Q03164 3/20 0.51
▸ PKM P14618 3/20 0.51
▸ TP53 P04637 1/20 0.51
▸ TSHR P16473 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ STIM1 Q13586 1/20 0.43
▸ ORAI1 Q96D31 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SCN9A Q15858 1/20 0.41
▸ GLA P06280 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL16019776 0.90 ALDH1A1 (0.56) ALDH1A1HSD17B10LMNANPC1RAB9A
SCHEMBL14885688 0.88 STIM1 (0.52) ALDH1A1HSD17B10LMNANPC1RAB9A
SCHEMBL14887577 0.86 HSD17B10 (0.55) ALDH1A1HSD17B10LMNANPC1RAB9A
SCHEMBL16019820 0.85 KDM4E (0.54) LMNANPC1RAB9ATP53STIM1
SCHEMBL16017210 0.84 MEN1 (0.50) NPC1RAB9ASMN1; SMN2KMT2APKM
SCHEMBL16017281 0.82 STIM1 (0.44) ALDH1A1HSD17B10LMNANPC1RAB9A
SCHEMBL16017215 0.81 GAA (0.50) ALDH1A1HSD17B10LMNASMN1; SMN2KMT2A
SCHEMBL14881327 0.81 KMT2A (0.47) KMT2ASTIM1ORAI1SCN9A
SCHEMBL14887339 0.81 BACE1 (0.44) ALDH1A1HSD17B10SMN1; SMN2STIM1ORAI1
SCHEMBL14887348 0.81 SCN9A (0.43) NPC1RAB9ASTIM1ORAI1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 — — 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALDH1A1 4409/4885HSD17B10 3352/4885LMNA 1306/4885

“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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