SCHEMBL30488778

SCHEMBL30488778

CS(=O)(=O)c1cc(F)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.41
PTGS1 P23219 4/20 0.41
CCR2 P41597 1/20 0.40
ADRA2A P08913 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEP1B Q16820 1/20 0.37
MT-CO1 P00395 1/20 0.37
MT-CO2 P00403 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGES2 Q9H7Z7 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
SCHEMBL1272338 1.00 PTGS2 (0.41) PTGS2PTGS1CCR2ADRA2AADRA1D
SCHEMBL31261450 0.83 KMT2A (0.38) PTGS2PTGS1KMT2AKDM4EMEP1B
SCHEMBL2369020 0.83 KMT2A (0.49) PTGS2PTGS1CCR2ADRA2AADRA1D
SCHEMBL29545876 0.83 KMT2A (0.49) PTGS2PTGS1CCR2ADRA2AADRA1D
SCHEMBL31261446 0.83 KMT2A (0.38) PTGS2PTGS1KMT2AKDM4EMEP1B
Hydrochloric Acid SCHEMBL28146489 0.82 KMT2A (0.37) PTGS2PTGS1KMT2AKDM4EMEP1B
SCHEMBL27026405 0.81 CA2 (0.50) PTGS2PTGS1KMT2APTGES2
SCHEMBL16852853 0.79 KMT2A (0.38) KMT2AKDM4EMEP1BTSHRPTGES2
SCHEMBL31553928 0.79 KMT2A (0.38) KMT2AKDM4EMEP1BTSHRPTGES2
SCHEMBL15353070 0.79 KDM4E (0.41) KMT2AKDM4EMEP1BTSHRPTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US disclosed
US-20240383904-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-21 US disclosed
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 US disclosed
WO-2024026424-A1 QUINAZOLINONE DERIVATIVES AS AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 EP 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 (3 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-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 PTGS2 3634/4885PTGS1 2744/4885CCR2 950/4885
US-20240383904-A1 HETEROCYCLIC COMPOUNDS MAGI3, MAG, MAGT1 PTGS2 2455/4885PTGS1 1684/4885CCR2 3832/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 PTGS2 2320/4885PTGS1 1561/4885CCR2 218/4885

“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.