SCHEMBL2159179

SCHEMBL2159179

CC(C)=C(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
GLA P06280 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 2/20 0.51
HDAC3 O15379 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
IDO1 P14902 1/20 0.48
ALOX15 P16050 1/20 0.48
HDAC1 Q13547 1/20 0.48
CA9 Q16790 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48

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
SCHEMBL10872524 0.83 TDP1 (0.55) TDP1SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL5895657 0.82 KMT2A (0.59) TDP1SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL5041032 0.80 KMT2A (0.57) TDP1SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL10347754 0.79 ALDH1A1 (0.55) TDP1SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL19100020 0.79 ALDH1A1 (0.58) TDP1SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL863064 0.79 ALDH1A1 (0.63) TDP1SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL76489 0.78 ALDH1A1 (0.67) TDP1SMN1; SMN2KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL27693713 0.75 ALDH1A1 (0.64) TDP1SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL4585824 0.75 ALDH1A1 (0.64) TDP1SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL3069836 0.75 ALDH1A1 (0.55) TDP1SMN1; SMN2KMT2AALDH1A1KDM4E

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471774-B1 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2016-08-24 EP disclosed
EP-2471774-B1 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2016-08-24 EP disclosed
EP-2471774-A1 Piperidinyl derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2012-07-04 EP disclosed
EP-2471774-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-7985861-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-26 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-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
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
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US 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
WO-2007092681-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 TDP1 3069/4885SMN1; SMN2 4000/4885KMT2A 4066/4885
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 TDP1 3069/4885SMN1; SMN2 4000/4885KMT2A 4066/4885
US-20110245226-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 TDP1 3069/4885SMN1; SMN2 4000/4885KMT2A 4066/4885

“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.