SCHEMBL2231773

SCHEMBL2231773

CCOC(=O)c1cc(OS(=O)(=O)c2ccc(C)cc2)cc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
PPARG P37231 1/20 0.44
MAPT P10636 1/20 0.44
G6PD P11413 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL581359 0.82 KMT2A (0.65) KMT2AGAANPC1RAB9ASMN1; SMN2
SCHEMBL9058148 0.81 MEN1 (0.53) KMT2AGAALMNAALDH1A1CA2
SCHEMBL2231769 0.81 ALDH1A1 (0.53) KMT2AGAASMN1; SMN2CYP2C9LMNA
SCHEMBL30899145 0.80 KMT2A (0.59) KMT2AGAANPC1RAB9ASMN1; SMN2
SCHEMBL28680003 0.77 GAA (0.60) KMT2AGAALMNAALDH1A1PPARG
SCHEMBL3327442 0.77 CYP2C19 (0.70) KMT2ANPC1CYP2C9CYP2C19KDM4E
SCHEMBL7234951 0.77 CYP2C19 (0.70) KMT2ANPC1CYP2C9CYP2C19KDM4E
SCHEMBL1495698 0.76 DHODH (0.55) KMT2AGAACYP2C9CYP2C19CA2
SCHEMBL1665713 0.76 MEN1 (0.70) KMT2AGAASMN1; SMN2LMNAALDH1A1
SCHEMBL10770101 0.76 TDP1 (0.51) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487109-B2 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI (FR) 2013-07-16 US disclosed
EP-2176203-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI SA (FR) 2011-08-10 EP disclosed
US-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI-AVENTIS (FR) 2010-10-14 US disclosed
EP-2176203-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES Sanofi-Aventis (FR) 2010-04-21 EP disclosed
WO-2009003589-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI-AVENTIS (FR) 2009-01-08 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-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates TYR, ALK, TYRO3 KMT2A 1588/4885GAA 2046/4885NPC1 4059/4885

“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.