SCHEMBL20113072

SCHEMBL20113072

CCc1ncccc1S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ APOBEC3G Q9HC16 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ COMT P21964 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ATR Q13535 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ EIF4H Q15056 1/20 0.37

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
SCHEMBL22188022 0.85 KDM4E (0.41) KDM4EGAAMAPTAPOBEC3GNPSR1
SCHEMBL28666967 0.83 COMT (0.44) KDM4EGAAMAPTAPOBEC3GNPSR1
SCHEMBL4931404 0.83 LOX (0.41) KDM4EGAAMAPTAPOBEC3GNPSR1
SCHEMBL3448835 0.83 CA2 (0.51) KDM4EGAAMAPTAPOBEC3GNPSR1
Hydrochloric Acid SCHEMBL28306815 0.81 COMT (0.42) KDM4EGAAMAPTAPOBEC3GNPSR1
SCHEMBL11109993 0.79 ALDH1A1 (0.43) KDM4EGAALMNAALDH1A1HTT
SCHEMBL11114827 0.76 KEAP1 (0.39) KDM4EMAPTTDP1COMTLMNA
SCHEMBL27844935 0.76 CXCR4 (0.40) KDM4EGAAMAPTAPOBEC3GNPSR1
SCHEMBL1641021 0.75 MAPT (0.42) KDM4EGAAMAPTAPOBEC3GNPSR1
SCHEMBL11112187 0.75 LMNA (0.40) KDM4ELMNAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781215-B2 Heterobicyclic compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2020-09-22 — — US disclosed
US-20190322672-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2019-10-24 — — US disclosed
WO-2018081488-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-03 — — 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-10781215-B2 Heterobicyclic compounds useful as modulators of IL-12, IL-23 and/or IFNα responses TYK2, IL2, IL23R KDM4E 2744/4885GAA 3919/4885MAPT 3072/4885
US-20190322672-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES TYK2, IL2, IFNG KDM4E 3389/4885GAA 3588/4885MAPT 3367/4885

“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