SCHEMBL17877014

SCHEMBL17877014

COC(=O)c1cc2cc(C)ccc2cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
EPAS1 Q99814 1/20 0.39
NR4A2 P43354 2/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
AHR P35869 1/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
CXCR2 P25025 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CFTR P13569 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
PTPN1 P18031 1/20 0.34
NOTUM Q6P988 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
SCHEMBL16513114 0.90 HSD11B1 (0.50) HSD11B1EPAS1ALDH1A1CXCR2HPGD
SCHEMBL18952971 0.89 HSD11B1 (0.41) HSD11B1EPAS1ALDH1A1KMT2AMEN1
SCHEMBL14063330 0.88 HSD11B1 (0.46) HSD11B1EPAS1NR4A2ALDH1A1CXCR2
SCHEMBL31150577 0.87 KDM4E (0.48) HSD11B1EPAS1ALDH1A1KMT2AMEN1
SCHEMBL852699 0.87 KDM4E (0.48) HSD11B1EPAS1ALDH1A1KMT2AMEN1
SCHEMBL17913590 0.86 EPAS1 (0.45) HSD11B1EPAS1NR4A2KMT2AMEN1
SCHEMBL6643810 0.85 HSP90AA1 (0.43) EPAS1NR4A2ALDH1A1CYP46A1CXCR2
SCHEMBL18952972 0.85 KDM4E (0.42) HSD11B1EPAS1ALDH1A1KMT2AMEN1
SCHEMBL5937228 0.85 CYP46A1 (0.43) EPAS1NR4A2ALDH1A1CYP46A1HPGD
SCHEMBL27229877 0.81 KDM4E (0.41) HSD11B1EPAS1ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180065976-A1 DERIVATIVES OF UNCIALAMYCIN, METHODS OF SYNTHESIS AND THEIR USE AS ANTITUMOR AGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-08 US disclosed
US-9777013-B2 Derivatives of uncialamycin, methods of synthesis and their use as antitumor agents WILLIAM MARSH RICE UNIVERSITY (US) 2017-10-03 US disclosed
US-20160185791-A1 DERIVATIVES OF UNCIALAMYCIN, METHODS OF SYNTHESIS AND THEIR USE AS ANTITUMOR AGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2016-06-30 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 (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-20160185791-A1 DERIVATIVES OF UNCIALAMYCIN, METHODS OF SYNTHESIS AND THEIR USE AS ANTITUMOR AGENTS UNC119, UNC93B1, RIOX2 HSD11B1 4434/4885EPAS1 4136/4885NR4A2 4426/4885
US-20180065976-A1 DERIVATIVES OF UNCIALAMYCIN, METHODS OF SYNTHESIS AND THEIR USE AS ANTITUMOR AGENTS UNC119, UNC93B1, RIOX2 HSD11B1 4432/4885EPAS1 3965/4885NR4A2 4342/4885

“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.