SCHEMBL3241271

SCHEMBL3241271

COc1ccc2c(c1)NC(C(=O)O)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HSPA1A P0DMV8 1/20 0.43
PTPN7 P35236 1/20 0.43
ACHE P22303 2/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
MAPKAPK2 P49137 2/20 0.40
MAPKAPK5 Q8IW41 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
HTR5A P47898 1/20 0.40
DPP4 P27487 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
SCHEMBL7037302 0.89 GAA (0.55) GAAMAPTALDH1A1TP53CYP1A2
SCHEMBL4365304 0.89 GAA (0.55) GAAMAPTALDH1A1TP53CYP1A2
SCHEMBL7044783 0.89 GAA (0.55) GAAMAPTALDH1A1TP53CYP1A2
Hydrochloric Acid SCHEMBL10910510 0.88 GAA (0.54) GAAMAPTALDH1A1TP53CYP1A2
SCHEMBL28634734 0.86 MTNR1A (0.44) GAAMAPTALDH1A1TP53CYP1A2
SCHEMBL4999513 0.86 MTNR1A (0.44) GAAMAPTALDH1A1TP53CYP1A2
SCHEMBL1321069 0.81 ALOX15 (0.44) GAAMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL16879090 0.79 DPP4 (0.57) ACHEMTNR1AMTNR1BDPP4CA1
SCHEMBL31370360 0.79 ROCK2 (0.55) ACHEMTNR1AMTNR1BDPP4CA1
SCHEMBL7785428 0.79 DPP4 (0.57) ACHEMTNR1AMTNR1BDPP4CA1

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
EP-2066318-B1 OXINDOLE DERIVATIVES AS ANTICANCER AGENTS HOFFMANN LA ROCHE (CH) 2010-05-12 EP claimed
EP-0992524-B1 Process for preparing polyether polyols BAYER AG (DE) 2004-02-18 EP disclosed
US-6624321-B2 Metathesis ring-opening polymerization of cyclic ethers in the presence of catalysts such as aluminum bis(trifluoromethane-sulfonate) phenolate BAYER AKTIENGESELLSCHAFT (DE) 2003-09-23 US disclosed
US-20030097026-A1 Process for the preparation of polyether polyols DENNINGER UWE (DE) 2003-05-22 US disclosed
US-6492565-B2 USING ALKYLENE OXIDE IN PRESENCE OF LEWIS ACID CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2002-12-10 US disclosed
US-20010053866-A1 Process for the preparation of polyether polyols BAYER AKTIENGESELLSCHAFT (DE) 2001-12-20 US disclosed
EP-0992524-A2 Process for preparing polyether polyols BAYER AG (DE) 2000-04-12 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-20030097026-A1 Process for the preparation of polyether polyols PCBP1, FHIT, PUF60 GAA 3068/4885MAPT 4187/4885ALDH1A1 3594/4885
US-20010053866-A1 Process for the preparation of polyether polyols PCBP1, FHIT, PUF60 GAA 3068/4885MAPT 4187/4885ALDH1A1 3594/4885

“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.