SCHEMBL21758139

SCHEMBL21758139

Fc1c(F)c(F)c(BCc2ccccc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.36
▸ CALM1 P0DP23 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ TRPA1 O75762 2/20 0.33
▸ LOXL2 Q9Y4K0 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ FAAH O00519 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ PRTN3 P24158 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL13994387 0.71 SMN1; SMN2 (0.36) TSHRCALM1TDP1ALDH1A1LOXL2
SCHEMBL13994371 0.71 PLA2G1B (0.40) CALM1ALDH1A1IDO1TAAR1
SCHEMBL275277 0.70 CALM1 (0.43) TSHRCALM1TDP1ALDH1A1TRPA1
SCHEMBL22541636 0.67 — —
SCHEMBL13994454 0.67 ALDH1A1 (0.42) TSHRTDP1ALDH1A1TRPA1LOXL2
SCHEMBL2686945 0.67 TAAR1 (0.41) IDO1MAOBTAAR1
SCHEMBL6349027 0.67 PLA2G1B (0.40) ALDH1A1LOXL2IDO1MAOBTAAR1
SCHEMBL11344330 0.66 CALM1 (0.50) TSHRCALM1TDP1ALDH1A1TRPA1
SCHEMBL21758083 0.66 SLC6A2 (0.35) TSHRCALM1TDP1TRPA1TP53
SCHEMBL7267410 0.64 MAPT (0.50) TDP1ALDH1A1MAOBHPGDALOX15

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-20200062783-A1 PHOTO LEWIS ACID GENERATOR NIPPON SHOKUBAI CO., LTD. (JP) 2020-02-27 — — 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-20200062783-A1 PHOTO LEWIS ACID GENERATOR LEO1, LRRK2, LSG1 TSHR 2934/4885CALM1 3859/4885TDP1 4131/4885

“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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