SCHEMBL19067079

SCHEMBL19067079

[2H]C1=C([2H])C(=O)N(c2cc(Cl)cc(Cl)c2)C1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ MGLL Q99685 4/20 0.42
▸ HSP90AA1 P07900 1/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ BCL2A1 Q16548 1/20 0.36
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ FAAH O00519 2/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ ITGB7 P26010 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ G6PD P11413 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33

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
SCHEMBL3171879 0.80 MGLL (0.62) TSHRMGLLHSP90AA1CCR6ALDH1A1
SCHEMBL5078820 0.75 MGLL (0.62) MGLLHSP90AA1CCR6ALDH1A1FAAH
SCHEMBL11757226 0.70 TSHR (0.42) TSHRMGLLBCL2A1CHRM2CHRM4
SCHEMBL10268369 0.68 ALDH1A1 (0.50) TSHRBCL2A1CHRM2CHRM4ADRB1
Dimethachlon SCHEMBL410360 0.68 TSHR (0.50) TSHRBCL2A1CHRM2CHRM4ADRB1
SCHEMBL11756755 0.67 TSHR (0.44) TSHRMGLLBCL2A1CHRM2CHRM4
SCHEMBL1899173 0.67 CA1 (0.53) —
SCHEMBL10833708 0.66 MEN1 (0.39) TSHRMGLLBCL2A1CHRM2CHRM4
SCHEMBL17338891 0.66 TSHR (0.43) TSHRHSP90AA1CCR6BCL2A1ALDH1A1
SCHEMBL11762036 0.65 TSHR (0.47) TSHRBCL2A1ALDH1A1USP2HSD17B10

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-10072017-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-09-11 — — US disclosed
US-20170204110-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2017-07-20 — — US disclosed
US-20170204110-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2017-07-20 — — US disclosed
WO-2017117239-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC (US) 2017-07-06 — — 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 (2 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-20170204110-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE TSHR 4320/4885MGLL 2407/4885HSP90AA1 1473/4885
US-10072017-B2 Compounds and methods for the treatment of cystic fibrosis CFTR, SERPINB1, ELANE TSHR 4320/4885MGLL 2407/4885HSP90AA1 1473/4885

“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