SCHEMBL19307113

SCHEMBL19307113

Cn1nc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2ccncc2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.49
▸ KMT2A Q03164 3/20 0.44
▸ KDM1A O60341 2/20 0.43
▸ SCN9A Q15858 6/20 0.42
▸ SLC40A1 Q9NP59 1/20 0.42
▸ CKS1B P61024 1/20 0.42
▸ SKP2 Q13309 1/20 0.42
▸ PIK3CB P42338 1/20 0.41
▸ CCR9 P51686 1/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ HSPD1 P10809 2/20 0.40
▸ PTPN2 P17706 2/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ PTPN5 P54829 2/20 0.40
▸ HSPE1 P61604 2/20 0.40
▸ PRF1 P14222 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
SCHEMBL29614849 1.00 TSHR (0.49) TSHRKMT2AKDM1ASCN9ASLC40A1
SCHEMBL19316704 0.79 FYN (0.38) —
SCHEMBL19307151 0.71 PIK3CG (0.44) TSHRPIK3CB
SCHEMBL29614732 0.71 PIK3CG (0.44) TSHRPIK3CB
SCHEMBL4491744 0.69 CKS1B (0.62) TSHRKMT2ASLC40A1CKS1BSKP2
SCHEMBL19307193 0.69 NAMPT (0.44) KMT2AMEN1
SCHEMBL528957 0.68 TSHR (0.63) TSHRKMT2ACKS1BSKP2PIK3CB
SCHEMBL19307170 0.68 IMPDH2 (0.54) KMT2AMEN1
SCHEMBL29614729 0.68 IMPDH2 (0.54) KMT2AMEN1
SCHEMBL29614804 0.67 F10 (0.40) SLC40A1PIK3CB

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-10988461-B2 Small molecule IRE1-α inhibitors CORNELL UNIVERSITY (US) 2021-04-27 — — US disclosed
US-20190016706-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2019-01-17 — — US disclosed
US-10125123-B2 Small molecule IRE1-α inhibitors CORNELL UNIVERSITY (US) 2018-11-13 — — US disclosed
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2017-09-07 — — 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 (4 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-20190016706-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 TSHR 4112/4885KMT2A 4366/4885KDM1A 3549/4885
US-10125123-B2 Small molecule IRE1-α inhibitors XBP1, ERN1, ERN2 TSHR 4011/4885KMT2A 4426/4885KDM1A 3515/4885
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 TSHR 4112/4885KMT2A 4366/4885KDM1A 3549/4885
US-10988461-B2 Small molecule IRE1-α inhibitors XBP1, ERN1, ERN2 TSHR 4011/4885KMT2A 4426/4885KDM1A 3515/4885

“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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