SCHEMBL23833481

SCHEMBL23833481

COc1ncc([N+](=O)[O-])cc1SCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ POLB P06746 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ MAPT P10636 6/20 0.46
▸ LMNA P02545 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.45
▸ TP53 P04637 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ GSTP1 P09211 1/20 0.43
▸ GSTM2 P28161 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ APOBEC3A P31941 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42

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
SCHEMBL29451699 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2APOLBMEN1
SCHEMBL27002646 0.80 KMT2A (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL20680345 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KMT2APOLBCYP2C9
SCHEMBL26693895 0.79 GPBAR1 (0.42) ALDH1A1SMN1; SMN2KMT2APOLBCYP2C9
SCHEMBL23833456 0.79 POLB (0.46) ALDH1A1SMN1; SMN2KMT2APOLBCYP2C9
SCHEMBL20304607 0.79 MAPT (0.43) ALDH1A1SMN1; SMN2KMT2APOLBMEN1
SCHEMBL31535836 0.79 TP53 (0.40) ALDH1A1SMN1; SMN2KMT2APOLBCYP1A2
SCHEMBL6195983 0.76 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KMT2APOLBMEN1
SCHEMBL31535829 0.76 RAB9A (0.38) ALDH1A1SMN1; SMN2KMT2APOLBCYP2C9
SCHEMBL29715358 0.76 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KMT2APOLBMEN1

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-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-05-25 — — US disclosed
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-05-25 — — US disclosed
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-05-25 — — US disclosed
EP-4121030-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF Amathus Therapeutics, Inc. (US) 2023-01-25 — — EP disclosed
WO-2021188907-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 — — WO disclosed
WO-2021188907-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 — — 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-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, PPM1D ALDH1A1 2592/4885SMN1; SMN2 428/4885KMT2A 4866/4885

“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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