SCHEMBL180106

SCHEMBL180106

COC(=O)C(O)Cc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.52
NOS3 P29474 3/20 0.52
NOS1 P29475 3/20 0.52
TSHR P16473 1/20 0.51
CA12 O43570 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
TRPA1 O75762 1/20 0.44
EPHX2 P34913 1/20 0.44
PPARG P37231 1/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL180105 1.00 NOS2 (0.52) NOS2NOS3NOS1TSHRCA12
SCHEMBL3910015 0.84 ESR1 (0.65) TSHRKMT2AESR1ESR2
SCHEMBL14540668 0.84 ESR1 (0.65) TSHRKMT2AESR1ESR2
SCHEMBL15689792 0.84 ESR1 (0.65) TSHRKMT2AESR1ESR2
SCHEMBL5888360 0.84 PTPRB (0.58) NOS2NOS3NOS1TSHRCA12
SCHEMBL1434710 0.83 TSHR (0.49) NOS2NOS3NOS1TSHRCA12
SCHEMBL1749708 0.82 HDAC1 (0.52) MEN1KMT2AESR1ESR2PPARG
SCHEMBL1678477 0.82 TSHR (0.55) NOS2NOS3NOS1TSHRCA12
SCHEMBL20502249 0.82 NOS2 (0.47) NOS2MEN1KMT2AESR1ESR2
SCHEMBL8591433 0.82 LDHA (0.61) PPARGHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023562-A1 NOVEL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2013-01-24 US disclosed
US-8314127-B2 Piperidine derivatives ASTRAZENECA AB (SE) 2012-11-20 US disclosed
EP-1912941-B1 PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2012-11-14 EP disclosed
EP-2402316-A1 Piperidine derivatives AstraZeneca AB (Publ) (SE) 2012-01-04 EP disclosed
CN-101268049-A Novel piperidine derivatives ASTRAZENECA AB (SE) 2008-09-17 CN disclosed
US-20080207688-A1 Novel Piperidine Derivatives ASTRAZENECA AB (SE) 2008-08-28 US disclosed
EP-1912941-A1 NOVEL PIPERIDINE DERIVATIVES AstraZeneca AB (SE) 2008-04-23 EP disclosed
WO-2007011293-A1 NOVEL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-01-25 WO disclosed
US-20060247470-A1 Process for producing optically active carboxylic acid substituted in 2-position KANEKA CORPORATION 2006-11-02 US disclosed
US-7094926-B2 Process for producing optically active carboxylic acid substituted in 2-position KANEKA CORPORATION (JP) 2006-08-22 US disclosed
US-20030144546-A1 Process for producing optically active carboxylic acid subtituted in 2-position KANEKA CORPORATION (JP) 2003-07-31 US disclosed
EP-1251115-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID SUBSTITUTED IN 2-POSITION KANEKA CORPORATION (JP) 2002-10-23 EP 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 (4 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-20080207688-A1 Novel Piperidine Derivatives CCR3, CCR1, CCR4 NOS2 1386/4885NOS3 536/4885NOS1 1476/4885
US-20030144546-A1 Process for producing optically active carboxylic acid subtituted in 2-position HAO2, CA2, HACL2 NOS2 258/4885NOS3 412/4885NOS1 300/4885
US-20130023562-A1 NOVEL PIPERIDINE DERIVATIVES CCR3, CCR1, CCR4 NOS2 1386/4885NOS3 536/4885NOS1 1476/4885
US-20060247470-A1 Process for producing optically active carboxylic acid substituted in 2-position HAO2, CA2, HACL2 NOS2 195/4885NOS3 482/4885NOS1 290/4885

“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.