SCHEMBL18758366

SCHEMBL18758366

COC(=O)c1cc(SC)n(C)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.35
JMJD6 Q6NYC1 1/20 0.34
PLAT P00750 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
SCHEMBL295558 0.77 MAPK1 (0.42) MAPK1MMP2MMP13MMP14BAZ2B
SCHEMBL69696 0.77 MEN1 (0.44) MAPK1BAZ2BKDM4EALDH1A1HPGD
SCHEMBL2246566 0.77 BAZ2B (0.62) MAPK1MMP2MMP13MMP14BAZ2B
SCHEMBL24915278 0.75 MEN1 (0.42) MAPK1MMP2MMP13MMP14BAZ2B
SCHEMBL478715 0.75 MAPK1 (0.41) MAPK1MMP2MMP13MMP14BAZ2B
SCHEMBL1312902 0.75 MAPK1 (0.44) MAPK1MMP2MMP13MMP14BAZ2B
SCHEMBL1312720 0.75 MAPK1 (0.41) MAPK1MMP2MMP13MMP14BAZ2B
SCHEMBL1314210 0.75 MAPT (0.41) MAPK1MMP2MMP13MMP14BAZ2B
Hydrochloric Acid SCHEMBL25408530 0.74 MAPK1 (0.40) MAPK1MMP2MMP13MMP14BAZ2B
SCHEMBL1267336 0.74 KDM4E (0.50) MAPK1KDM4EALDH1A1HPGDHSD17B10

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-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

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 MAPK1 4152/4885MMP2 2340/4885MMP13 3580/4885
US-20190022069-A1 EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES THEREOF EPOR, CD47, DHPS MAPK1 4152/4885MMP2 2340/4885MMP13 3580/4885
US-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES EPOR, EZR, CD47 MAPK1 4106/4885MMP2 2994/4885MMP13 4257/4885

“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.