SCHEMBL1666476

SCHEMBL1666476

O=C(O)CC1(O)CC[C@@H](C(=O)OCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 1/20 0.41
LTB4R Q15722 1/20 0.41
FKBP1A P62942 1/20 0.40
BACE1 P56817 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1668432 1.00 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ATSHRALDH1A1
SCHEMBL16214742 0.84 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9ATSHRALDH1A1
SCHEMBL16214739 0.83 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ATSHRALDH1A1
SCHEMBL1813152 0.83 FABP7 (0.42) SMN1; SMN2NPC1RAB9ATSHRALDH1A1
SCHEMBL16214731 0.83 FKBP1A (0.45) TSHRALDH1A1FABP7FABP5FKBP1A
SCHEMBL1666432 0.83 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ATSHRALDH1A1
SCHEMBL6120052 0.82 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ATSHRALDH1A1
SCHEMBL28003989 0.81 FABP7 (0.45) SMN1; SMN2NPC1RAB9ATSHRALDH1A1
SCHEMBL3617827 0.81 SLC6A2 (0.45) SMN1; SMN2NPC1RAB9ATSHRALDH1A1
SCHEMBL15457715 0.81 SLC6A2 (0.45) SMN1; SMN2NPC1RAB9ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221819-B2 Spirocyclic compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-9221819-B2 Spirocyclic compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-8877749-B2 Spirocyclic compounds as modulators of chemokine receptor activity Bristol-Myers Squibbs Company (US) 2014-11-04 US disclosed
US-8877749-B2 Spirocyclic compounds as modulators of chemokine receptor activity Bristol-Myers Squibbs Company (US) 2014-11-04 US disclosed
EP-2486034-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
US-20120202802-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
WO-2011044197-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 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-20120202802-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CXCR1, CCR7 SMN1; SMN2 4613/4885NPC1 1441/4885RAB9A 942/4885

“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.