SCHEMBL23167158

SCHEMBL23167158

CS(=O)(=O)c1cccc(-c2nccc(CO)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ SYK P43405 2/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.42
▸ CYP1A2 P05177 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GRK6 P43250 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ PIK3CA P42336 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
SCHEMBL28812887 0.84 CTSS (0.46) CTSSCTSKSYKLOXL2CYP1A2
SCHEMBL27807848 0.81 KCNH2 (0.48) CTSSCTSKSYKLOXL2CYP1A2
SCHEMBL27807845 0.79 LOXL2 (0.49) SYKLOXL2NR1H2NR1H3CYP2C9
SCHEMBL20745060 0.78 ALDH1A1 (0.53) ALDH1A1ALOX15LMNA
SCHEMBL4429937 0.78 CSNK2A2 (0.47) SYKCYP1A2CYP3A4ALDH1A1ALOX15
SCHEMBL20745605 0.76 IRAK4 (0.37) CYP1A2CYP3A4ALDH1A1ALOX15CYP2C9
SCHEMBL7958916 0.74 TRPV3 (0.45) CYP1A2CYP3A4SMN1; SMN2CYP2D6CYP2C19
SCHEMBL20745100 0.74 PIK3CA (0.38) CYP1A2CYP3A4ALDH1A1ALOX15CYP2C9
SCHEMBL29732445 0.74 SMN1; SMN2 (0.50) SYKLOXL2CYP1A2CYP3A4ALDH1A1
SCHEMBL23166102 0.74 SMN1; SMN2 (0.50) SYKLOXL2CYP1A2CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114746428-B MCL1 inhibitor and application thereof 加利福尼亚技术学院 2025-05-16 — — CN disclosed
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 CTSS 2810/4885CTSK 2201/4885SYK 2654/4885

“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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