SCHEMBL18458866

SCHEMBL18458866

COC(O)c1ccnc(COS(C)(=O)=O)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30

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
SCHEMBL27045873 0.82 KDM5A (0.35) KDM5AKDM5B
SCHEMBL22481551 0.75 NOS2 (0.53) —
SCHEMBL348768 0.73 KDM4E (0.49) KDM5AKDM5B
SCHEMBL2424253 0.73 MAPT (0.36) CYP1A2CYP3A4CYP2D6
SCHEMBL17442671 0.72 KDM4D (0.47) KDM5AKDM5B
SCHEMBL29306465 0.70 RXRA (0.33) KDM5AKDM5BCYP1A2
SCHEMBL3402923 0.69 ALDH1A1 (0.44) KDM5AKDM5BCYP1A2
SCHEMBL19633231 0.69 UHRF1 (0.43) —
SCHEMBL21098120 0.69 NOS3 (0.33) —
SCHEMBL6637270 0.69 ALDH1A1 (0.37) —

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-10266515-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-23 — — US disclosed
US-10023557-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2018-07-17 — — US disclosed
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2018-06-21 — — US disclosed
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 — — 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-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KDM5A 768/4885KDM5B 621/4885CYP1A2 3187/4885
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KDM5A 768/4885KDM5B 621/4885CYP1A2 3187/4885
US-10023557-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 KDM5A 768/4885KDM5B 621/4885CYP1A2 3187/4885
US-10266515-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 KDM5A 768/4885KDM5B 621/4885CYP1A2 3187/4885

“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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