SCHEMBL3564050

SCHEMBL3564050

O=C(Nc1ccccc1CCCCCc1ccccc1C(=O)O)c1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 10/20 1.00
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 2/20 0.57
HPGD P15428 1/20 0.57
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
SMO Q99835 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
SLC16A1 P53985 1/20 0.45
PLK1 P53350 1/20 0.45
PLK3 Q9H4B4 1/20 0.45

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
SCHEMBL3552458 0.90 SLC16A3 (1.00) SLC16A3CYP1A2CYP2C19HPGDKMT2A
SCHEMBL3559571 0.85 SLC16A3 (0.83) SLC16A3KMT2APLK1PLK3
SCHEMBL3557714 0.85 SLC16A3 (0.78) SLC16A3KMT2ARAB9APLK1PLK3
SCHEMBL3564066 0.84 SLC16A3 (1.00) SLC16A3HPGDPOLBALDH1A1PLK1
SCHEMBL3557242 0.84 SLC16A3 (0.73) SLC16A3GAAKMT2AALDH1A1
SCHEMBL3554633 0.84 SLC16A3 (1.00) SLC16A3HPGDGAAKMT2AALDH1A1
SCHEMBL3552419 0.84 SLC16A3 (0.83) SLC16A3HPGDGAAKMT2AALDH1A1
SCHEMBL3561727 0.82 SLC16A3 (1.00) SLC16A3HPGDKMT2AALDH1A1
SCHEMBL3558403 0.82 SLC16A3 (1.00) SLC16A3KMT2A
Methylamine SCHEMBL27546410 0.82 SLC16A3 (0.69) SLC16A3CYP1A2CYP2C19HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US claimed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US claimed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 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-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 SLC16A3 425/4885CYP1A2 272/4885CYP2C19 337/4885

“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.