SCHEMBL16396129

SCHEMBL16396129

CS(=O)(=O)OCc1cccc(Br)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
NR3C1 P04150 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 3/20 0.31
CYP2D6 P10635 3/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PLCG1 P19174 1/20 0.31
LMNA P02545 1/20 0.30
BLM P54132 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL17709779 0.85
SCHEMBL4940352 0.83 IDO1 (0.55) IDO1ALDH1A1CYP1A2CYP2D6CYP3A4
SCHEMBL7957997 0.82 IDO1 (0.52) IDO1NR3C1ALDH1A1CYP1A2CYP2D6
SCHEMBL19357472 0.81 NR3C1 (0.38) IDO1GABRA1GABRB2NR3C1ALDH1A1
SCHEMBL20096043 0.80 KAT6A (0.35) IDO1GABRA1GABRB2NR3C1ALDH1A1
SCHEMBL4479848 0.78 HTR6 (0.36) IDO1NR3C1ALDH1A1CYP1A2CYP2C19
SCHEMBL25699176 0.77 IDO1 (0.41) IDO1GABRA1GABRB2MRGPRX4PPARG
SCHEMBL31497662 0.77 PLCG1 (0.35) IDO1GABRA1GABRB2NR3C1ALDH1A1
SCHEMBL5273095 0.76 CYP1A2 (0.41) IDO1ALDH1A1CYP1A2CYP2D6CYP3A4
SCHEMBL10962586 0.75 IDO1 (0.52) IDO1ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US 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
CN-105555766-A Aminomethyl-biaryl derivatives as complement factor D inhibitors and uses thereof NOVARTIS AG 2016-05-04 CN disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 WO 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 IDO1 1024/4885GABRA1 2818/4885GABRB2 2856/4885

“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.