SCHEMBL15699765

SCHEMBL15699765

CCOP(=O)(Cc1nc2ccccc2s1)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
UBE2T Q9NPD8 1/20 0.49
ASIC3 Q9UHC3 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 8/20 0.47
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
MAPK1 P28482 1/20 0.47
PKM P14618 1/20 0.46
DDAH1 O94760 1/20 0.44
HPGD P15428 4/20 0.44
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 3/20 0.43

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
SCHEMBL26947058 0.82 PTPN1 (0.46) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL16666119 0.81 PTPN1 (0.46) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL30486708 0.81 MAOB (0.44) GAAL3MBTL1HTT
SCHEMBL26947064 0.81 MAOB (0.44) GAAL3MBTL1HTT
SCHEMBL17038133 0.80 CYP1A2 (0.49) MAPTKMT2AMEN1GAAKDM4E
Fostedil SCHEMBL29387277 0.80 KDM4E (0.53) MAPTKMT2AMEN1GAAKDM4E
Fostedil SCHEMBL612913 0.80 KDM4E (0.53) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL30132337 0.80 CYP1A2 (0.49) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL7407470 0.78 F2RL3 (0.47) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL4406283 0.76 UBE2T (0.56) MAPTKMT2AMEN1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES WILLIAM MARSH RICE UNIVERSITY (US) 2021-08-05 US disclosed
US-10874646-B2 Epothilone analogs, methods of synthesis, methods of treatment, and drug conjugates thereof WILLIAM MARSH RICE UNIVERSITY (US) 2020-12-29 US disclosed
US-20190022069-A1 EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2019-01-24 US disclosed
WO-2017066606-A1 EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2017-04-20 WO disclosed
WO-2014072930-A2 FUSED PYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-05-15 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 (3 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-10874646-B2 Epothilone analogs, methods of synthesis, methods of treatment, and drug conjugates thereof EPOR, CD47, DHPS MAPT 3333/4885KMT2A 3574/4885MEN1 2203/4885
US-20190022069-A1 EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES THEREOF EPOR, CD47, DHPS MAPT 3333/4885KMT2A 3574/4885MEN1 2203/4885
US-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES EPOR, EZR, CD47 MAPT 4222/4885KMT2A 2781/4885MEN1 2437/4885

“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.