SCHEMBL20595647

SCHEMBL20595647

C=C(Br)OC(=O)c1nccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
RBBP9 O75884 5/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 3/20 0.38
CASP3 P42574 3/20 0.38
SENP8 Q96LD8 3/20 0.38
SENP7 Q9BQF6 3/20 0.38
SENP6 Q9GZR1 3/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PLA2G4A P47712 3/20 0.35
CES1 P23141 1/20 0.34
PLA2G7 Q13093 1/20 0.33
HSPA9 P38646 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
FDPS P14324 1/20 0.32
PPARG P37231 1/20 0.31

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
SCHEMBL9568892 0.77
SCHEMBL6972528 0.77
SCHEMBL27623450 0.74
SCHEMBL25242978 0.74 ALDH1A1 (0.57) ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19
SCHEMBL359025 0.74 ALDH1A1 (0.47) ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19
SCHEMBL1009292 0.73
SCHEMBL20746452 0.73
SCHEMBL9568835 0.73
SCHEMBL9568970 0.73
Hydrochloric Acid SCHEMBL28652061 0.72 ALDH1A1 (0.59) ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19

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-20210155616-A1 SYNTHESIS OF DISORAZOLES AND ANALOGS THEREOF AS POTENT ANTICANCER AGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2021-05-27 US disclosed
EP-3641891-A1 SYNTHESIS OF DISORAZOLES AND ANALOGS THEREOF AS POTENT ANTICANCER AGENTS William Marsh Rice University (US) 2020-04-29 EP disclosed
WO-2018237178-A1 SYNTHESIS OF DISORAZOLES AND ANALOGS THEREOF AS POTENT ANTICANCER AGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-12-27 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-20210155616-A1 SYNTHESIS OF DISORAZOLES AND ANALOGS THEREOF AS POTENT ANTICANCER AGENTS CD47, DUT, CD99 ALDH1A1 202/4885RBBP9 1889/4885CYP1A2 997/4885

“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.