SCHEMBL21998382

SCHEMBL21998382

O=C[C@]1(COCOCc2ccccc2)CCCc2cc(Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 0.47
▸ KDM1A O60341 3/20 0.39
▸ CYP3A4 P08684 1/20 0.35
▸ UGCG Q16739 1/20 0.35
▸ TACR1 P25103 2/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ AR P10275 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 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
SCHEMBL21993938 1.00 SIGMAR1 (0.47) SIGMAR1KDM1ACYP3A4UGCGTACR1
SCHEMBL28964369 0.81 SIGMAR1 (0.46) SIGMAR1KDM1AKDM4CBACE1DRD2
SCHEMBL21930565 0.78 SIGMAR1 (0.42) SIGMAR1KDM1AKDM4CBACE1
SCHEMBL21930213 0.78 SIGMAR1 (0.42) SIGMAR1KDM1AKDM4CBACE1
SCHEMBL23442097 0.74 KDM1A (0.41) SIGMAR1KDM1AKDM4CBACE1
SCHEMBL17542382 0.71 ALDH1A1 (0.38) SIGMAR1KDM1AKDM4C
SCHEMBL17542383 0.71 ALDH1A1 (0.38) SIGMAR1KDM1AKDM4C
SCHEMBL17542332 0.70 KDM1A (0.37) SIGMAR1KDM1AKDM4C
SCHEMBL17542330 0.70 KDM1A (0.37) SIGMAR1KDM1AKDM4C
SCHEMBL26194440 0.70 SMN1; SMN2 (0.39) SIGMAR1KDM1AKDM4CDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11130769-B2 Spiro-sulfonamide derivatives as inhibitors of myeloid cell leukemia-1 (MCL-1) protein PRELUDE THERAPEUTICS, INCORPORATED (US) 2021-09-28 — — US disclosed
US-20200148705-A1 Spiro-Sulfonamide Derivatives As Inhibitors Of Myeloid Cell Leukemia-1 (MCL-1) Protein PRELUDE THERAPEUTICS, INCORPORATED 2020-05-14 — — 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 (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-11130769-B2 Spiro-sulfonamide derivatives as inhibitors of myeloid cell leukemia-1 (MCL-1) protein MCL1, BCL2A1, BCL2L1 SIGMAR1 2212/4885KDM1A 1749/4885CYP3A4 4140/4885
US-20200148705-A1 Spiro-Sulfonamide Derivatives As Inhibitors Of Myeloid Cell Leukemia-1 (MCL-1) Protein MCL1, BCL2A1, BCL2L1 SIGMAR1 2212/4885KDM1A 1749/4885CYP3A4 4140/4885

“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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