SCHEMBL3698437

SCHEMBL3698437

COc1cc(C=O)cc(S(C)(=O)=O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 5/20 0.34
TSHR P16473 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP2A6 P11509 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
AOX1 Q06278 1/20 0.32
TRIM24 O15164 1/20 0.32
HPGD P15428 1/20 0.32
ALDH5A1 P51649 1/20 0.32
ABAT P80404 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
NFE2L2 Q16236 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KCNH2 Q12809 1/20 0.31
PTGS2 P35354 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
SCHEMBL10825037 0.83 LMNA (0.33) LMNASMN1; SMN2CYP2A6
SCHEMBL3465331 0.82 LMNA (0.41) LMNASMN1; SMN2ALDH1A1CYP1A2KDM4E
SCHEMBL1618933 0.81 ALDH1A1 (0.47) LMNASMN1; SMN2ALDH1A1TSHRCYP1A2
SCHEMBL3465466 0.81 LMNA (0.45) LMNASMN1; SMN2ALDH1A1CYP1A2KDM4E
SCHEMBL3691082 0.77 LMNA (0.55) LMNASMN1; SMN2ALDH1A1TSHRCYP1A2
SCHEMBL8658127 0.77 SMN1; SMN2 (0.55) LMNASMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL1619663 0.74 CYP1A2 (0.41) LMNASMN1; SMN2ALDH1A1TSHRCYP1A2
SCHEMBL29957773 0.73 ALDH1A1 (0.37) LMNASMN1; SMN2ALDH1A1TSHRCYP1A2
SCHEMBL28026807 0.73 LMNA (0.55) LMNASMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL2567300 0.73 ALDH1A1 (0.37) LMNASMN1; SMN2ALDH1A1TSHRCYP1A2

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-8163918-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 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-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 LMNA 4838/4885SMN1; SMN2 1334/4885ALDH1A1 570/4885

“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.