SCHEMBL15782880

SCHEMBL15782880

CCc1cc2ncsc2c(O)c1C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BAZ2A Q9UIF9 2/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.30
DAO P14920 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RIPK2 O43353 1/20 0.30

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
SCHEMBL12948356 0.90 PRKCI (0.43) PRKCIMEN1KMT2AKDM4ETAS1R3
SCHEMBL21569592 0.88 PRKCI (0.35) PRKCITAS1R3TAS1R1
SCHEMBL15782884 0.75 PRKCI (0.35) PRKCIMEN1KMT2ACYP3A4HPGD
SCHEMBL15782879 0.70 SLC2A1 (0.36) PRKCIMEN1KMT2ACYP3A4HPGD
SCHEMBL12948357 0.70 MTNR1A (0.36) PRKCIMEN1KMT2ATAS1R3TAS1R1
SCHEMBL15782871 0.69 PRKCI (0.33) PRKCIMEN1KMT2ACYP3A4HPGD
SCHEMBL15782872 0.69 PRKCI (0.33) PRKCIMEN1KMT2ABAZ2ACYP3A4
SCHEMBL4895968 0.68 NPC1 (0.37) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL15782865 0.67 PRKCI (0.33) PRKCIMEN1KMT2ACYP3A4HPGD
SCHEMBL24868156 0.66 NPC1 (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884830-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-02-06 US disclosed
EP-3138831-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF President and Fellows of Harvard College (US) 2017-03-08 EP disclosed
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-24 US disclosed
EP-1753713-B1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2016-07-27 EP disclosed
US-9365493-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-06-14 US disclosed
US-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-12 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-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC PRKCI 2091/4885NPC1 3339/4885RAB9A 3065/4885
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC PRKCI 2091/4885NPC1 3339/4885RAB9A 3065/4885

“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.