SCHEMBL24429415

SCHEMBL24429415

CCOc1ccc(F)c(S(=O)(=O)Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 6/20 0.47
TSHR P16473 1/20 0.43
TRPV4 Q9HBA0 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
NQO1 P15559 1/20 0.42
ALDH1A1 P00352 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL24429673 0.87 KAT6A (0.45) KAT6ATSHRCA12CA1CA2
SCHEMBL29651880 0.83 CA1 (0.54) KAT6ATSHRCA12CA1CA2
SCHEMBL34468880 0.81 TSHR (0.58) TSHRTRPV4ALDH1A1KDM4EHTT
SCHEMBL14775287 0.81 SMN1; SMN2 (0.48) KAT6ATRPV4ALDH1A1NPSR1
SCHEMBL29595784 0.81 SMN1; SMN2 (0.48) KAT6ATRPV4ALDH1A1NPSR1
SCHEMBL26567164 0.81 KAT6A (0.54) KAT6ATSHRALDH1A1HTTLMNA
SCHEMBL24429429 0.78 KAT6A (0.52) KAT6AALDH1A1FFAR1FFAR4
SCHEMBL9659543 0.78 PDIA6 (0.53) TSHRTRPV4CA12CA1CA2
SCHEMBL12082958 0.78 TRPV4 (0.48) TSHRTRPV4CA12CA1CA2
SCHEMBL10815132 0.76 TRPV4 (0.54) TSHRTRPV4CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113795254-B Pyrazolopyridine compounds for IRE1 inhibition 奥普提卡拉公司 2024-08-09 CN disclosed
US-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same OPTIKIRA LLC (US) 2023-10-19 US disclosed
US-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same OPTIKIRA LLC (US) 2023-10-19 US disclosed
US-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same OPTIKIRA LLC (US) 2023-10-19 US disclosed
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition Optikira, LLC 2022-05-19 US disclosed
CN-113795254-A Pyrazolopyridine compounds for IRE1 inhibition 奥普提卡拉公司 2021-12-14 CN 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-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same XBP1, ERN1, ERN2 KAT6A 4736/4885TSHR 4302/4885TRPV4 2071/4885
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition XBP1, ERN1, ERN2 KAT6A 4658/4885TSHR 4069/4885TRPV4 2125/4885

“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.