SCHEMBL22568331

SCHEMBL22568331

COCCOc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
CYP17A1 P05093 1/20 0.48
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
PTPN11 Q06124 1/20 0.47
FAAH O00519 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
NAMPT P43490 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX2 P34913 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL23142821 0.87 TP53 (0.51) LMNATP53CYP17A1CA12CA1
SCHEMBL594716 0.87 CYP17A1 (0.52) CYP17A1CA12CA1CA2CA9
SCHEMBL3335259 0.87 FAAH (0.62) FAAH
SCHEMBL13637520 0.87 FAAH (0.62) FAAHRAB9AALDH1A1TSHRMAPT
SCHEMBL29730607 0.85 CYP17A1 (0.48) LMNATP53CYP17A1CA12CA1
SCHEMBL13827423 0.85 CYP17A1 (0.48) LMNATP53CYP17A1CA12CA1
SCHEMBL22006732 0.85 APP (0.52) LMNATP53CYP17A1CA12CA1
SCHEMBL15731128 0.85 APP (0.52) LMNATP53CYP17A1CA12CA1
SCHEMBL13306489 0.84 CA1 (0.66) CYP17A1CA12CA1CA2CA9
SCHEMBL1422634 0.84 FAAH (0.49) CYP17A1CA12CA1CA2CA9

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-11111230-B2 Indoleamine 2,3-dioxygenase inhibitors and use of same in medicine ADLAI NORTYE BIOPHARMA CO., LTD. (CN) 2021-09-07 US disclosed
US-20200331887-A1 INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS AND USE OF SAME IN MEDICINE XIAMEN BIOTIME BIOTECHNOLOGY CO., LTD. (CN) 2020-10-22 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-20200331887-A1 INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS AND USE OF SAME IN MEDICINE IDO1, IDO2, INMT LMNA 4446/4885TP53 4413/4885CYP17A1 52/4885
US-11111230-B2 Indoleamine 2,3-dioxygenase inhibitors and use of same in medicine IDO1, IDO2, INMT LMNA 4446/4885TP53 4413/4885CYP17A1 52/4885

“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.