SCHEMBL1312907

SCHEMBL1312907

Cc1cc(COS(C)(=O)=O)cc(C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA1 P00915 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 3/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL10204303 0.88 SMN1; SMN2 (0.34) CA2CA9CA1CYP1A2CYP3A4
SCHEMBL568752 0.88 GAA (0.33) CA2CA9CA1CYP1A2CYP3A4
SCHEMBL25300943 0.84 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6TSHRKDM4E
SCHEMBL10204617 0.84 LMNA (0.31) LMNA
SCHEMBL30509978 0.81 KDM4E (0.38) TSHRKDM4EALDH1A1LMNAUSP2
SCHEMBL25252110 0.81 KDM4E (0.38) TSHRKDM4EALDH1A1LMNAUSP2
SCHEMBL26077236 0.80 L3MBTL1 (0.32) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL20605048 0.80 HTT (0.41) CA2CA1CYP1A2CYP3A4CYP2D6
SCHEMBL14430286 0.79 CA2 (0.42) CA2CA9CA1TSHRKDM4E
SCHEMBL10204294 0.78 CYP1A2 (0.34) CA2CA9CA1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275637-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-11-10 US disclosed
EP-2313096-A1 NEW COMPOUNDS V AstraZeneca AB (Publ) (SE) 2011-04-27 EP disclosed
WO-2009147211-A1 NEW COMPOUNDS V BIOVITRUM AB (PUBL) (SE) 2009-12-10 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-20110275637-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ADIPOR2, GPR119, ADIPOR1 CA2 3609/4885CA9 4883/4885CA1 4806/4885

“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.