SCHEMBL2159275

SCHEMBL2159275

CC(C)(NC(=O)Oc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 3/20 0.49
ELANE P08246 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
GFER P55789 1/20 0.45
HTT P42858 2/20 0.45
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 3/20 0.44
RAD51 Q06609 1/20 0.44
CXCR2 P25025 1/20 0.43

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
SCHEMBL1893211 0.85 ALDH1A1 (0.51) ALDH1A1MAPTELANEMEN1KMT2A
SCHEMBL2159641 0.83 ELANE (0.48) ALDH1A1MAPTELANEMEN1KMT2A
SCHEMBL28185422 0.81 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL15526786 0.79 ALDH1A1 (0.49) ALDH1A1MAPTELANEMEN1KMT2A
Alcohol SCHEMBL29193587 0.77 RAB9A (0.45) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL27512959 0.77 ENPEP (0.47) ALDH1A1MAPTGAASMN1; SMN2CYP1A2
SCHEMBL11735907 0.76 ALDH1A1 (0.44) ALDH1A1MAPTELANEMEN1KMT2A
SCHEMBL11735912 0.76 ALDH1A1 (0.44) ALDH1A1MAPTELANEMEN1KMT2A
SCHEMBL27319668 0.76 L3MBTL1 (0.47) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL5586145 0.76 ELANE (0.55) ALDH1A1MAPTELANEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471773-B1 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2016-03-23 EP disclosed
EP-2471774-A1 Piperidinyl derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2012-07-04 EP disclosed
EP-2471773-A1 Piperidinyl derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2012-07-04 EP disclosed
US-20110245226-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
US-7985861-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-26 US disclosed
US-20090298833-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 US disclosed
US-7601844-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-13 US disclosed
EP-2049486-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2009-04-22 EP disclosed
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007092681-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 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 (3 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-20090298833-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 ALDH1A1 263/4885MAPT 4514/4885ELANE 455/4885
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 ALDH1A1 263/4885MAPT 4514/4885ELANE 455/4885
US-20110245226-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 ALDH1A1 263/4885MAPT 4514/4885ELANE 455/4885

“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.