SCHEMBL13715488

SCHEMBL13715488

CC(=O)Nc1ccc(C(=O)O)c(Cl)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ POLB P06746 3/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PDK1 Q15118 1/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ PDK3 Q15120 1/20 0.43
▸ PDK4 Q16654 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HPGD P15428 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
SCHEMBL17072005 0.87 KDM4E (0.50) KDM4EHSD17B10POLBCYP2C19ALDH1A1
SCHEMBL13715485 0.86 KDM4E (0.58) KDM4EHSD17B10POLBCYP2C19PDK1
SCHEMBL21722984 0.82 KDM4E (0.54) KDM4EHSD17B10POLBCYP2C19PDK1
SCHEMBL13715404 0.79 KDM4E (0.50) KDM4EHSD17B10POLBCYP2C19ALDH1A1
SCHEMBL7754189 0.77 POLB (0.53) KDM4EHSD17B10POLBALDH1A1NPC1
SCHEMBL217628 0.77 TSHR (0.61) KDM4EHSD17B10ALDH1A1MAPTMEN1
SCHEMBL32690872 0.77 TSHR (0.61) KDM4EHSD17B10ALDH1A1MAPTMEN1
SCHEMBL6207171 0.77 KDM4E (0.46) KDM4EHSD17B10POLBPDK1PDK2
SCHEMBL6750019 0.76 KDM4E (0.75) KDM4EHSD17B10ALDH1A1RAB9AMEN1
SCHEMBL670482 0.76 CLCN2 (0.51) KDM4EHSD17B10POLBALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569723-B2 Benzoic acid derivatives as non nucleoside reverse-transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-04 — — US disclosed
US-20080114068-A1 BENZOIC ACID DERIVATIVES AS NON NUCLEOSIDE REVERSE-TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-15 — — 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-20080114068-A1 BENZOIC ACID DERIVATIVES AS NON NUCLEOSIDE REVERSE-TRANSCRIPTASE INHIBITORS POLR2A, POLR1A, RTF1 KDM4E 1619/4885HSD17B10 592/4885POLB 21/4885

“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.

Send feedback