SCHEMBL2190498

SCHEMBL2190498

CCCC[C@@H]([C]=O)NC(=O)[C@@H]1CCC(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.41
▸ DAGLA Q9Y4D2 1/20 0.41
▸ HDAC3 O15379 8/20 0.39
▸ HDAC11 Q96DB2 8/20 0.39
▸ HDAC6 Q9UBN7 8/20 0.39
▸ HDAC1 Q13547 7/20 0.39
▸ HDAC2 Q92769 7/20 0.39
▸ HDAC10 Q969S8 7/20 0.39
▸ HDAC8 Q9BY41 7/20 0.39
▸ DPP7 Q9UHL4 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HDAC4 P56524 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ACACB O00763 1/20 0.35

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
SCHEMBL10580958 0.86 HDAC3 (0.40) CNR1DAGLAHDAC3HDAC11HDAC6
SCHEMBL1607473 0.82 POLB (0.38) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL11733472 0.81 HDAC3 (0.47) CNR1DAGLAHDAC3HDAC11HDAC6
SCHEMBL8669058 0.80 POLB (0.39) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL11740264 0.80 HDAC3 (0.46) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL10335267 0.75 CTSC (0.52) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL9000850 0.74 TSHR (0.43) CNR1DAGLAPOLBSMN1; SMN2MEN1
SCHEMBL11738552 0.74 PRCP (0.53) SMN1; SMN2
SCHEMBL9350324 0.73 CNR1 (0.51) CNR1DAGLAHDAC3HDAC11HDAC6
SCHEMBL25039712 0.73 POLB (0.46) HDAC3HDAC11HDAC6HDAC1HDAC2

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-9682153-B2 Polymer conjugates of therapeutic peptides NEKTAR THERAPEUTICS (US) 2017-06-20 — — US disclosed
US-20160022828-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS 2016-01-28 — — US disclosed
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE NEKTAR THERAPEUTICS (US) 2011-07-14 — — 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-20160022828-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP CNR1 4064/4885DAGLA 4536/4885HDAC3 3446/4885
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE DNPEP, VIP, PTMS CNR1 4163/4885DAGLA 4543/4885HDAC3 3341/4885

“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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