SCHEMBL24271801

SCHEMBL24271801

Cc1nc(CNC(=O)c2cccnn2)sc1-c1cccc(-c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ EPHX2 P34913 2/20 0.40
▸ NR1H4 Q96RI1 2/20 0.40
▸ LIPG Q9Y5X9 1/20 0.39
▸ BCL2 P10415 1/20 0.38
▸ MMP13 P45452 3/20 0.38
▸ CHRM4 P08173 1/20 0.37
▸ GPR52 Q9Y2T5 3/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ RARA P10276 1/20 0.36
▸ RARB P10826 1/20 0.36

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
SCHEMBL24272259 0.88 RARA (0.39) NPC1RAB9AMEN1CASP3KMT2A
SCHEMBL24271799 0.81 HDAC1 (0.45) NPC1RAB9AMEN1CASP3KMT2A
SCHEMBL24271807 0.79 MEN1 (0.45) NPC1RAB9AMEN1CASP3KMT2A
SCHEMBL24272277 0.79 MEN1 (0.37) NPC1RAB9AMEN1KMT2AGPR52
SCHEMBL24272021 0.77 MEN1 (0.44) NPC1RAB9AMEN1CASP3KMT2A
SCHEMBL24271739 0.75 GPR52 (0.48) NPC1RAB9AMEN1CASP3KMT2A
SCHEMBL24348947 0.73 BPGM (0.37) NPC1RAB9ACHRM4GPR52P2RX7
SCHEMBL24272262 0.73 PRKD1 (0.42) NPC1RAB9AMEN1CASP3KMT2A
SCHEMBL24272038 0.73 NPC1 (0.45) NPC1RAB9AMEN1CASP3KMT2A
SCHEMBL24271749 0.73 NPC1 (0.52) NPC1RAB9AMEN1CASP3KMT2A

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 3 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
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 NPC1 3720/4885RAB9A 1778/4885MEN1 3174/4885

“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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