SCHEMBL24308502

SCHEMBL24308502

CCC(=O)NCCN1C(=O)CC(S)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 9/20 0.45
▸ MTNR1B P49286 9/20 0.45
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ADAM17 P78536 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ RECQL P46063 1/20 0.33

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
SCHEMBL20705908 0.90 CASP2 (0.39) MTNR1AMTNR1BMEN1KMT2ATSHR
SCHEMBL16309339 0.84 MTNR1A (0.46) MTNR1AMTNR1BMEN1KMT2ATP53
SCHEMBL23226171 0.82 TP53 (0.41) MEN1KMT2ATP53HDAC3HDAC4
SCHEMBL23397424 0.81 ALDH1A1 (0.39) MEN1KMT2ATP53ADAM17HDAC3
SCHEMBL20118250 0.79 FAAH (0.38) MEN1KMT2ATP53ADAM17HDAC3
SCHEMBL20705909 0.79 HPGD (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12945876 0.79 ALDH1A1 (0.36) MEN1KMT2ATP53TSHRADAM17
SCHEMBL10036356 0.79 ITGB3 (0.41) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL23975074 0.78 ALDH1A1 (0.38) ADAM17HDAC3HDAC4HDAC1HDAC7
SCHEMBL16204453 0.78 ALDH1A1 (0.38) ADAM17HDAC3HDAC4HDAC1HDAC7

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-11278628-B2 Pharmaceutical formulations and methods of use thereof IMMUNOGEN, INC. (US) 2022-03-22 — — 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-11278628-B2 Pharmaceutical formulations and methods of use thereof GABRA5, GABRA6, GABRA3 MTNR1A 2263/4885MTNR1B 1972/4885MEN1 2741/4885

“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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