SCHEMBL8739500

SCHEMBL8739500

[2H]CCSSCCC(=O)NC

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.72
▸ TSHR P16473 1/20 0.36
▸ HDAC2 Q92769 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CA9 Q16790 2/20 0.30
▸ MCL1 Q07820 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
SCHEMBL836383 0.85 LMNA (0.82) LMNATSHRHDAC2KDM4ETDP1
SCHEMBL6562134 0.85 LMNA (1.00) LMNATSHRHDAC2KDM4ETDP1
SCHEMBL15298754 0.77 LMNA (0.82) LMNATSHRKDM4ETDP1POLB
SCHEMBL14516809 0.75 LMNA (0.78) LMNATSHRHDAC2KDM4ETDP1
SCHEMBL24347595 0.75 LMNA (0.78) LMNATSHRKDM4ETDP1POLB
SCHEMBL10064431 0.74 — —
SCHEMBL12989977 0.73 LMNA (0.75) LMNATSHRHDAC2
SCHEMBL15895028 0.72 — —
SCHEMBL10025171 0.71 LMNA (0.69) LMNATSHRHDAC2KDM4ETDP1
SCHEMBL26469358 0.71 LMNA (0.69) LMNATSHRKDM4ETDP1POLB

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-8389697-B2 Anthracycline derivative conjugates, process for their preparation and their use as antitumor compounds GENENTECH, INC. (US) 2013-03-05 — — US disclosed
US-20120130059-A1 ANTHRACYCLINE DERIVATIVE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR COMPOUNDS BERIA ITALO (IT) 2012-05-24 — — US disclosed
US-20110076287-A1 NEMORUBICIN METABOLITE AND ANALOG REAGENTS, ANTIBODY-DRUG CONJUGATES AND METHODS GENENTECH, INC. 2011-03-31 — — 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-20110076287-A1 NEMORUBICIN METABOLITE AND ANALOG REAGENTS, ANTIBODY-DRUG CONJUGATES AND METHODS BCR, CD79B, MYADM LMNA 237/4885TSHR 1202/4885HDAC2 3315/4885
US-20120130059-A1 ANTHRACYCLINE DERIVATIVE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR COMPOUNDS MRPL21, BCR, MYD88 LMNA 1429/4885TSHR 3353/4885HDAC2 3914/4885

“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.

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