SCHEMBL24271806

SCHEMBL24271806

Cc1nc(CO)sc1-c1cccc(-c2c[nH]c(C(=O)O)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 3/20 0.41
▸ NOTUM Q6P988 1/20 0.36
▸ PTGER4 P35408 3/20 0.35
▸ GPR52 Q9Y2T5 6/20 0.35
▸ RARA P10276 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PPARD Q03181 1/20 0.33
▸ COMT P21964 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL24271803 0.86 BPGM (0.57) BPGMGPR52PPARDKDM4EMAPT
SCHEMBL24271804 0.74 POLB (0.41) GPR52GAARAB9AKDM4ELMNA
SCHEMBL24271848 0.70 BPGM (0.55) BPGMPPARDSMN1; SMN2
SCHEMBL24271979 0.70 MEN1 (0.41) GPR52
SCHEMBL24271786 0.70 BPGM (0.58) BPGMGPR52PPARDKDM4EMAPT
SCHEMBL24271914 0.70 KDM4E (0.43) BPGMGPR52GAARAB9ACOMT
SCHEMBL30445389 0.70 KDM4E (0.43) BPGMGPR52GAARAB9ACOMT
SCHEMBL24272071 0.69 BPGM (0.56) BPGMGPR52PPARDKDM4EMAPT
SCHEMBL24271932 0.68 BPGM (0.63) BPGMGPR52RARARARBGAA
SCHEMBL24271817 0.68 MEN1 (0.55) GAACOMTSMN1; SMN2

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-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 — — US disclosed
WO-2022056447-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION (US) 2022-03-17 — — 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-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, PGM2 BPGM 1/4885NOTUM 2259/4885PTGER4 3927/4885

“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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