SCHEMBL7804222

SCHEMBL7804222

CCC(CO)NC(=O)C(S)NC(=O)CS

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.35
LMNA P02545 2/20 0.35
CNR1 P21554 1/20 0.35
ADRA1A P35348 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ABCC3 O15438 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32
POLB P06746 1/20 0.31
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
CYP3A4 P08684 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
SCHEMBL5089424 0.76 ACE (0.46) TDP1LMNACNR1ADRA1AKDM4E
SCHEMBL21674054 0.72 MME (0.32) MME
SCHEMBL825584 0.71 TDP1 (0.44) TDP1LMNACNR1ADRA1AKDM4E
SCHEMBL929534 0.71 LMNA (0.39) TDP1LMNAKDM4ESMN1; SMN2CA12
SCHEMBL16817027 0.70 LMNA (0.43) TDP1LMNACNR1ADRA1AKDM4E
SCHEMBL26709641 0.70 CYP3A4 (0.46) TDP1LMNACNR1ADRA1AKDM4E
SCHEMBL13097700 0.70 CYP3A4 (0.46) TDP1LMNACNR1ADRA1AKDM4E
SCHEMBL13662686 0.69 CYP2C9 (0.46) TDP1LMNACNR1ADRA1AKDM4E
SCHEMBL17776983 0.69 CYP2C9 (0.46) TDP1LMNACNR1ADRA1AKDM4E
SCHEMBL14391478 0.68 PAX8 (0.46) TDP1LMNACNR1ADRA1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010056208-A1 METHOD AND AGENTS FOR PERMANENTLY STYLING HAIR, WITH A BASE CONSISTING OF N,N-DISUBSTITUTED MERCAPTOACETAMIDES, AND METHOD FOR PRODUCING SAID MERCAPTOACETAMIDES HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2001-12-27 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-20010056208-A1 METHOD AND AGENTS FOR PERMANENTLY STYLING HAIR, WITH A BASE CONSISTING OF N,N-DISUBSTITUTED MERCAPTOACETAMIDES, AND METHOD FOR PRODUCING SAID MERCAPTOACETAMIDES KRT18, BHMT2, NACA TDP1 3930/4885LMNA 3637/4885CNR1 1157/4885

“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.