SCHEMBL4012771

SCHEMBL4012771

CS(=O)(=O)c1cc(F)ccc1CBr

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 7/20 0.39
ADRA1A P35348 5/20 0.39
ADRA1B P35368 5/20 0.39
ADRA2A P08913 2/20 0.39
KDM4E B2RXH2 1/20 0.37
CCR2 P41597 1/20 0.37
SLC6A4 P31645 1/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
ADRA2C P18825 1/20 0.36
DDR1 Q08345 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEP1B Q16820 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL27786995 0.86 ADRA1D (0.39) ADRA1DADRA1AADRA1BADRA2AKDM4E
SCHEMBL2220407 0.85 DDR1 (0.44) ADRA1DADRA1AADRA1BADRA2AKDM4E
SCHEMBL13180014 0.85 KDM4E (0.42) ADRA1DADRA1AADRA1BADRA2AKDM4E
SCHEMBL13243782 0.82 ADRA1D (0.37) ADRA1DADRA1AADRA1BADRA2AKDM4E
SCHEMBL5124506 0.81 MAOA (0.39) ADRA1DADRA1AADRA1BADRA2AKDM4E
SCHEMBL2526456 0.81 CA2 (0.41)
SCHEMBL1151395 0.81 KDM4E (0.41) KDM4ESLC6A4TSHRMAPK1
SCHEMBL2528510 0.81 SMN1; SMN2 (0.38) KDM4EL3MBTL1MEP1BUSP2SMN1; SMN2
SCHEMBL1512139 0.80 ADRA1D (0.40) ADRA1DADRA1AADRA1BADRA2AKDM4E
Hydrochloric Acid SCHEMBL1017408 0.80 MAOA (0.40) ADRA1DADRA1AADRA1BADRA2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US 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-20070072831-A1 Integrase inhibitor compounds TYMP, CDKN1A, PAICS ADRA1D 4247/4885ADRA1A 4369/4885ADRA1B 4000/4885

“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.