SCHEMBL30278476

SCHEMBL30278476

O=S(=O)(Cl)c1cncc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S100A9 P06702 1/20 0.45
POLB P06746 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
EGFR P00533 5/20 0.40
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
APLNR P35414 1/20 0.35
HTT P42858 2/20 0.35
ALOX15 P16050 1/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.34
RAB9A P51151 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
SCHEMBL352138 1.00 S100A9 (0.45) S100A9POLBHCAR2KDM1AMAOA
Hydrochloric Acid SCHEMBL1368736 0.98 S100A9 (0.44) S100A9POLBHCAR2KDM1AMAOA
SCHEMBL31375066 0.82 S100A9 (0.44) S100A9POLBHCAR2KDM1AMAOA
SCHEMBL1347132 0.78 S100A9 (0.45) S100A9POLBHCAR2KDM1AMAOA
SCHEMBL26185892 0.78 S100A9 (0.42) S100A9POLBHCAR2KDM1AMAOA
SCHEMBL732378 0.78 APLNR (0.59) S100A9POLBHCAR2KDM1AMAOA
SCHEMBL853773 0.78 PTGS2 (0.48) S100A9POLBHCAR2KDM1AMAOA
Hydrochloric Acid SCHEMBL27899332 0.77 S100A9 (0.44) S100A9POLBHCAR2KDM1AMAOA
SCHEMBL1828079 0.76 HCAR2 (0.42) S100A9HCAR2ALDH1A1HSD17B10TDP1
SCHEMBL31375063 0.75 POLB (0.42) S100A9POLBHCAR2EGFRSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4387603-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF Enanta Pharmaceuticals, Inc. (US) 2024-06-26 EP disclosed
US-20240124431-A1 2,3-DIHYDRO-4H-BENZO[B][1,4]OXAZIN-4-YL)(5-(PHENYL)-PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP11A1 INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER ORION CORPORATION (FI) 2024-04-18 US disclosed
WO-2023023310-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2023-02-23 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-20240124431-A1 2,3-DIHYDRO-4H-BENZO[B][1,4]OXAZIN-4-YL)(5-(PHENYL)-PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP11A1 INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER CYP11B1, CYP11B2, SRD5A1 S100A9 4067/4885POLB 1415/4885HCAR2 1143/4885

“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.