SCHEMBL6705176

SCHEMBL6705176

CSc1ccc2nc(C(C)Oc3ccc(CC(C)C(O)=S)cc3)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
PTPRC P08575 1/20 0.38
PTPRF P10586 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
CYP1A2 P05177 6/20 0.35
CYP2E1 P05181 6/20 0.35
CYP2C8 P10632 6/20 0.35
CYP2D6 P10635 6/20 0.35
CYP2C9 P11712 6/20 0.35
CYP2B6 P20813 6/20 0.35
CYP2C19 P33261 6/20 0.35
CYP3A4 P08684 5/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35

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
Hydrochloric Acid SCHEMBL6700237 0.99 ALDH1A1 (0.39) ALDH1A1ALOX15MEN1KMT2AHTT
SCHEMBL6700131 0.90 ALDH1A1 (0.38) ALDH1A1ALOX15MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL6700536 0.89 ALDH1A1 (0.38) ALDH1A1ALOX15MEN1KMT2AHTT
SCHEMBL6702480 0.87 GRIN1 (0.43) ALDH1A1ALOX15MEN1KMT2AHTT
SCHEMBL6703326 0.87 CYP2E1 (0.46) ALDH1A1ALOX15MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL6702785 0.86 GRIN1 (0.43) ALDH1A1ALOX15MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL6697811 0.86 CYP2E1 (0.45) ALDH1A1ALOX15MEN1KMT2AHTT
SCHEMBL6704260 0.84 PTPRC (0.39) ALDH1A1ALOX15MEN1KMT2AHTT
SCHEMBL7491862 0.81 LMNA (0.38) ALDH1A1ALOX15MEN1KMT2AHTT
SCHEMBL6705087 0.78 ALDH1A1 (0.42) ALDH1A1ALOX15MEN1KMT2AHTT

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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US claimed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US claimed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP claimed
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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 (2 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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ALDH1A1 28/4885ALOX15 806/4885MEN1 3577/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ALDH1A1 28/4885ALOX15 806/4885MEN1 3577/4885

“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.