SCHEMBL24009072

SCHEMBL24009072

N#Cc1cnc2c(OCF)cccc2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 1/20 0.40
▸ SRC P12931 3/20 0.38
▸ EGFR P00533 4/20 0.36
▸ ERBB2 P04626 4/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ PLAU P00749 1/20 0.34
▸ PIN1 Q13526 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 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
SCHEMBL24009065 0.86 ALDH1A1 (0.43) SLC6A3SRCEGFRERBB2HPGDS
SCHEMBL24009071 0.83 SLC6A3 (0.40) SLC6A3SRCEGFRERBB2HPGDS
SCHEMBL6381401 0.83 HPGDS (0.54) SLC6A3SRCEGFRERBB2HPGDS
SCHEMBL19889981 0.78 SLC6A3 (0.41) SLC6A3EGFRKDM4EALDH1A1POLB
SCHEMBL4376539 0.77 KDM4E (0.50) SLC6A3SRCEGFRERBB2HPGDS
SCHEMBL5256736 0.77 IMPDH2 (0.48) SLC6A3SRCEGFRERBB2HPGDS
SCHEMBL1124839 0.74 NR1H2 (0.47) —
SCHEMBL5257280 0.71 KMT2A (0.47) PIN1KDM4EALDH1A1POLB
SCHEMBL27533903 0.70 ALDH1A1 (0.55) PIN1KDM4EALDH1A1POLB
SCHEMBL19889979 0.70 CYP11B2 (0.39) SLC6A3SRCEGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 — — US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 — — US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 — — US disclosed
CN-115996912-A Iminothiolanone inhibitors of ENPP1 沃拉斯查疗法公司 2023-04-21 — — CN disclosed
EP-4146344-A1 IMINO SULFANONE INHIBITORS OF ENPP1 Volastra Therapeutics, Inc. (US) 2023-03-15 — — EP disclosed
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-01-05 — — US disclosed
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-01-05 — — US disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 — — WO disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 — — 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-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 SLC6A3 3584/4885SRC 1327/4885EGFR 4147/4885
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 ENPP1, ENPP3, SMPD1 SLC6A3 3584/4885SRC 1327/4885EGFR 4147/4885

“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