SCHEMBL4501807

SCHEMBL4501807

COC(=O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.60
ALDH1A1 P00352 1/20 0.54
PKM P14618 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GRM4 Q14833 1/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47

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
SCHEMBL9918736 0.85 ALDH1A1 (0.50) FBP1ALDH1A1PKMCA1CA2
SCHEMBL23245989 0.85 FBP1 (0.56) FBP1ALDH1A1PKMCA1CA2
SCHEMBL589219 0.83 ALDH1A1 (0.61) FBP1ALDH1A1PKMCA1CA2
SCHEMBL4513102 0.83 ALDH1A1 (0.75) FBP1ALDH1A1PKMCA1CA2
SCHEMBL1504624 0.83 PKM (0.60) FBP1ALDH1A1PKMCA1CA2
SCHEMBL13485768 0.82 ALDH1A1 (0.54) FBP1ALDH1A1PKMCA1CA2
Hydrochloric Acid SCHEMBL1891433 0.82 PKM (0.59) FBP1ALDH1A1PKMCA1CA2
SCHEMBL1370629 0.82 ALDH1A1 (0.56) FBP1ALDH1A1PKMCA1CA2
SCHEMBL1370626 0.82 ALDH1A1 (0.56) FBP1ALDH1A1PKMCA1CA2
SCHEMBL21807392 0.80 FBP1 (0.53) FBP1ALDH1A1CA1CA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024064745-A1 SYNTHESIS OF RELDESEMTIV CYTOKINETICS, INCORPORATED (US) 2024-03-28 WO claimed
WO-2024064745-A1 SYNTHESIS OF RELDESEMTIV CYTOKINETICS, INCORPORATED (US) 2024-03-28 WO disclosed
WO-2024064745-A1 SYNTHESIS OF RELDESEMTIV CYTOKINETICS, INCORPORATED (US) 2024-03-28 WO disclosed
US-20210347780-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC 2021-11-11 US disclosed
US-8378058-B2 Conducting polymers and uses thereof AUCKLAND UNISERVICES LIMITED (NZ) 2013-02-19 US disclosed
US-8378058-B2 Conducting polymers and uses thereof AUCKLAND UNISERVICES LIMITED (NZ) 2013-02-19 US disclosed
US-8378058-B2 Conducting polymers and uses thereof AUCKLAND UNISERVICES LIMITED (NZ) 2013-02-19 US disclosed
US-20090215958-A1 CONDUCTING POLYMERS AND USES THEREOF AUCKLAND UNISERVICES LIMITED (NZ) 2009-08-27 US disclosed
US-20090215958-A1 CONDUCTING POLYMERS AND USES THEREOF AUCKLAND UNISERVICES LIMITED (NZ) 2009-08-27 US disclosed
US-20090215958-A1 CONDUCTING POLYMERS AND USES THEREOF AUCKLAND UNISERVICES LIMITED (NZ) 2009-08-27 US disclosed
WO-2007018439-A1 CONDUCTING POLYMERS AND USES THEREOF AUCKLAND UNISERVICES LIMITED (NZ) 2007-02-15 WO disclosed
WO-2007018439-A1 CONDUCTING POLYMERS AND USES THEREOF AUCKLAND UNISERVICES LIMITED (NZ) 2007-02-15 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 (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-20210347780-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO CAMKK1, CAMK1, CAMKK2 FBP1 1013/4885ALDH1A1 4701/4885PKM 1001/4885
US-20090215958-A1 CONDUCTING POLYMERS AND USES THEREOF PIN1, PPIA, PARG FBP1 3450/4885ALDH1A1 3846/4885PKM 1635/4885

“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.