SCHEMBL12869633

SCHEMBL12869633

[C-]#[N+]C(CC(OCC)OCC)C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIN1 Q13526 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
TRPA1 O75762 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL7745289 0.87 EPHX1 (0.32) MGAMGAASIMGAM2
SCHEMBL131332 0.75 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10PIN1ALOX15
SCHEMBL13497300 0.74 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10PIN1ALOX15
SCHEMBL7752458 0.74 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10PIN1ALOX15
SCHEMBL4570452 0.72 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL3687016 0.72 TDP1 (0.38) ALDH1A1LMNAHSD17B10PIN1ALOX15
SCHEMBL4751282 0.72 L3MBTL1 (0.49) ALDH1A1LMNAHSD17B10MGAMGAA
SCHEMBL11876330 0.70 METAP2 (0.46) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL2206905 0.69
SCHEMBL7837841 0.68 MGAM (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884110-B2 4-Chloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide sodium salt; for chemokine-mediated conditions or diseases including certain inflammatory and immunoregulatory disorders; restenosis, multiple sclerosis, arthritis CHEMOCENTRYX, INC. (US) 2011-02-08 US disclosed
US-20090233946-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. 2009-09-17 US 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-20090233946-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 ALDH1A1 3373/4885LMNA 4302/4885HSD17B10 3288/4885

“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.