SCHEMBL23166102

SCHEMBL23166102

COC(OC)c1ccnc(-c2cccc(S(C)(=O)=O)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KMT2A Q03164 4/20 0.49
▸ MAPT P10636 2/20 0.49
▸ RAB9A P51151 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.44
▸ SYK P43405 2/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ CYP1A2 P05177 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ NR1H2 P55055 3/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ CYP2C9 P11712 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38

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
SCHEMBL29732445 1.00 SMN1; SMN2 (0.50) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL27807848 0.79 KCNH2 (0.48) SMN1; SMN2LRRK2SYKLOXL2CYP1A2
SCHEMBL16180078 0.79 CLK4 (0.62) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL27807845 0.77 LOXL2 (0.49) LRRK2SYKLOXL2NR1H2NR1H3
SCHEMBL20745651 0.76 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL4429937 0.76 CSNK2A2 (0.47) SMN1; SMN2SYKCYP1A2CYP3A4ALDH1A1
SCHEMBL20742657 0.74 KMT2A (0.48) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL23167158 0.74 CTSS (0.44) SMN1; SMN2LRRK2SYKLOXL2CYP1A2
SCHEMBL16815718 0.72 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AMAPTRAB9AL3MBTL1
SCHEMBL28812887 0.72 CTSS (0.46) SMN1; SMN2KMT2ALRRK2SYKLOXL2

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
US-20230116602-A1 MCL1 INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-04-13 — — US disclosed
WO-2022216946-A1 MCL1 INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-10-13 — — WO disclosed
EP-4038072-A1 MCL1 INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-08-10 — — EP disclosed
CN-114746428-A MCL1 inhibitor and application thereof 加利福尼亚技术学院 2022-07-12 — — CN disclosed
WO-2021067827-A1 MCL1 INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-04-08 — — WO disclosed
WO-2021067827-A1 MCL1 INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-04-08 — — 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 (1 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-20230116602-A1 MCL1 INHIBITORS AND USES THEREOF MCL1, BCL2L1, BCL2L11 SMN1; SMN2 2262/4885KMT2A 2368/4885MAPT 3555/4885

“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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