SCHEMBL12062500

SCHEMBL12062500

NC(=O)CNC(=O)c1cccnc1SC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.51
RAB9A P51151 2/20 0.51
TSHR P16473 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
ATM Q13315 2/20 0.50
SPHK2 Q9NRA0 1/20 0.46
POLB P06746 1/20 0.45
PKM P14618 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPK8 P45983 1/20 0.42
HPGD P15428 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
NSD2 O96028 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41

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
SCHEMBL12062503 0.89 L3MBTL1 (0.49) L3MBTL1RAB9ATSHRCASP3SENP8
SCHEMBL12062502 0.81 KMT2A (0.43) L3MBTL1TSHRATMKMT2AMEN1
SCHEMBL5812840 0.80 CNR2 (0.59) L3MBTL1SPHK2MAPK8HPGDALDH1A1
SCHEMBL4448177 0.79 ATM (0.49) ATMKMT2AMEN1HPGDALDH1A1
Hydrochloric Acid SCHEMBL9313499 0.75 HPGD (0.61) RAB9AATMKMT2AMEN1HPGD
SCHEMBL5717635 0.71 ALDH1A1 (0.73) KMT2AMAPK8ALDH1A1TDP1
SCHEMBL5717798 0.71 ALDH1A1 (0.61) RAB9AATMPOLBKMT2AMEN1
SCHEMBL2820683 0.70 LMNA (0.61) TSHRSPHK2ALDH1A1SMN1; SMN2
SCHEMBL5485588 0.70 LMNA (0.61) TSHRSPHK2ALDH1A1SMN1; SMN2
SCHEMBL7311813 0.69 MEN1 (0.53) L3MBTL1RAB9AKMT2AMEN1HPGD

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-8076372-B2 Acythiols and component thiol compositions as anti-HIV and anti-retroviral agents GOVERNMENT OF THE UNITED STATES (US) 2011-12-13 US disclosed
US-20090247473-A1 ACYTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS THE GOVERNMENT OF THE U.S.A.,AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH & HUMAN SERVICES (US) 2009-10-01 US disclosed
US-7528274-B2 Acylthiols and component thiol compositions as anti-HIV and anti-retroviral agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-05-05 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 (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-20090247473-A1 ACYTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS ZC3HAV1, ZFP3, ATL3 L3MBTL1 340/4885RAB9A 3502/4885TSHR 4243/4885

“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.