SCHEMBL29225970

SCHEMBL29225970

CC1(C)OB(c2ccc(OC3CCCC3)c([N+](=O)[O-])c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
PTGES O14684 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE5A O76074 1/20 0.40
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
PMP22 Q01453 1/20 0.37
POLB P06746 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
SCHEMBL14863387 0.89 ALK (0.42) ALDH1A1CYP1A2NFKB1THPOPMP22
SCHEMBL26834042 0.85 CYP19A1 (0.36) CYP19A1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL4771663 0.81 ALDH1A1 (0.45) MEN1KMT2AALDH1A1CYP3A4MAPT
SCHEMBL29845809 0.81 ALDH1A1 (0.45) MEN1KMT2AALDH1A1CYP3A4MAPT
SCHEMBL8973852 0.79 CYP19A1 (0.56) CYP19A1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL29225986 0.79 CYP19A1 (0.38) CYP19A1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL29226103 0.79 CYP19A1 (0.38) CYP19A1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL24930071 0.79 PDE4A (0.37) HIF1APDE4ABACE1PDE4BCA1
SCHEMBL129694 0.79 PDE4A (0.52) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL8973738 0.78 CYP19A1 (0.57) CYP19A1MEN1KMT2AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376046-A1 PHENYL-SULFAMOYL-BENZOIC ACID DERIVATIVES AS ERAP1- MODULATORS Grey Wolf Therapeutics Limited (GB) 2024-11-14 US disclosed
CN-117881657-A Phenyl-sulfamoyl-benzoic acid derivatives as ERAP1 modulators 格雷沃尔夫治疗有限公司 2024-04-12 CN 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-20240376046-A1 PHENYL-SULFAMOYL-BENZOIC ACID DERIVATIVES AS ERAP1- MODULATORS ERAP1, XPO1, RRP15 CYP19A1 2081/4885MEN1 2922/4885KMT2A 1909/4885

“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.