SCHEMBL3991901

SCHEMBL3991901

COC(=O)CC(NC(=O)c1ccccc1O)c1ccc(-c2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCAF1 Q9Y4B6 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ TACR3 P29371 1/20 0.46
▸ CTSA P10619 6/20 0.43
▸ PTPRC P08575 1/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PTPA Q15257 1/20 0.41
▸ CYP26A1 O43174 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ACLY P53396 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39

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
SCHEMBL4831636 0.92 DCAF1 (0.51) DCAF1KDM4EALDH1A1LMNAHPGD
SCHEMBL6100298 0.92 DCAF1 (0.47) DCAF1TACR3CTSACYP26A1
SCHEMBL5927139 0.87 UTS2R (0.45) DCAF1ALDH1A1HPGDTACR3CTSA
SCHEMBL5926471 0.86 POLB (0.45) DCAF1TACR3CTSACYP26A1MEN1
SCHEMBL5926547 0.85 DCAF1 (0.43) DCAF1TACR3CTSA
SCHEMBL5926628 0.85 DCAF1 (0.43) DCAF1TACR3CTSA
SCHEMBL5926926 0.85 TACR3 (0.48) DCAF1KDM4EALDH1A1LMNAHPGD
SCHEMBL5926855 0.84 CTSA (0.43) DCAF1TACR3CTSA
SCHEMBL5927440 0.84 CTSA (0.43) DCAF1TACR3CTSA
SCHEMBL5926763 0.84 DCAF1 (0.42) DCAF1TACR3CTSAMEN1KMT2A

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-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 — — US disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — 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-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 DCAF1 3885/4885KDM4E 1332/4885ALDH1A1 2886/4885

“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