SCHEMBL15058801

SCHEMBL15058801

CC(C)OC(=O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)cc2n1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 6/20 0.77
▸ PDCD1 Q15116 1/20 0.43
▸ CD274 Q9NZQ7 1/20 0.43
▸ ELANE P08246 3/20 0.37
▸ F2 P00734 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GLO1 Q04760 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ S1PR1 P21453 1/20 0.34

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
SCHEMBL15070120 0.87 LDHA (1.00) LDHAHDAC6GLO1KDM4EALDH1A1
SCHEMBL15058048 0.84 LDHA (0.77) LDHAELANENPSR1KDM4EALDH1A1
SCHEMBL7624 0.83 LDHA (1.00) LDHARXRARXRBRXRGHDAC6
SCHEMBL16240325 0.81 LDHA (0.52) LDHAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15058967 0.81 LDHA (0.72) LDHAELANEKDM4EALDH1A1CYP1A2
SCHEMBL15058822 0.81 LDHA (0.71) LDHAHDAC6KDM4EALDH1A1CYP1A2
SCHEMBL16241222 0.78 LDHA (0.67) LDHANPSR1KDM4EMAPT
SCHEMBL16241012 0.77 LDHA (0.66) LDHAMAPTSMN1; SMN2
SCHEMBL16240283 0.76 LDHA (0.79) LDHAELANEF2PLAUKDM4E
SCHEMBL16241236 0.75 LDHA (0.77) LDHA

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-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITA DI PISA (IT) 2014-11-20 — — US claimed
WO-2013092753-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITÀ DI PISA (IT) 2013-06-27 — — WO claimed
US-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITA DI PISA (IT) 2014-11-20 — — US disclosed
WO-2013092753-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITÀ DI PISA (IT) 2013-06-27 — — 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-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) LDHA, LDHB, IDO1 LDHA 1/4885PDCD1 926/4885CD274 1254/4885

“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.

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