SCHEMBL16397013

SCHEMBL16397013

CC(NC(=O)O)c1cccc(Br)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.42
PPARG P37231 2/20 0.41
GRM5 P41594 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR3 Q99500 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
CTSA P10619 1/20 0.36
NTRK1 P04629 1/20 0.35
MMP9 P14780 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL2784760 0.87 STAT3 (0.40) STAT3PPARGGRM5IRAK4ROCK2
SCHEMBL67946 0.80 IRAK4 (0.39) STAT3PPARGGRM5IRAK4ALDH1A1
SCHEMBL29265661 0.79 IRAK4 (0.42) IRAK4
SCHEMBL16410312 0.79 IRAK4 (0.42) IRAK4
SCHEMBL13584896 0.78 S1PR2 (0.42) STAT3IRAK4ALDH1A1HPGDS1PR2
SCHEMBL13584897 0.78 S1PR2 (0.42) STAT3IRAK4ALDH1A1HPGDS1PR2
SCHEMBL24031283 0.77 PTGS2 (0.39) STAT3GRM5IRAK4ALDH1A1HPGD
SCHEMBL17440955 0.77 CTSA (0.40) STAT3PPARGGRM5IRAK4ALDH1A1
SCHEMBL1063380 0.77 ALDH1A1 (0.62) PPARGALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL19304728 0.77 RAB9A (0.40) ALDH1A1SMN1; SMN2LMNA

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
WO-2024131265-A1 COMPOUND FOR TREATING PI3Kγ-MEDIATED DISEASES AND USE THEREOF 中国科学院合肥物质科学研究院 2024-06-27 WO disclosed
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US disclosed
EP-3022182-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-05-25 EP disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB STAT3 4840/4885PPARG 4668/4885GRM5 3214/4885

“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.