SCHEMBL11977642

SCHEMBL11977642

Cc1ccc(CNCCCC[C@@H](CC(=O)O)NC(=O)N[C@@H](CCC(=O)O)CC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 11/20 0.55
▸ HDAC3 O15379 3/20 0.49
▸ HDAC4 P56524 3/20 0.49
▸ HDAC1 Q13547 3/20 0.49
▸ HDAC7 Q8WUI4 3/20 0.49
▸ HDAC2 Q92769 3/20 0.49
▸ HDAC10 Q969S8 3/20 0.49
▸ HDAC11 Q96DB2 3/20 0.49
▸ HDAC8 Q9BY41 3/20 0.49
▸ HDAC6 Q9UBN7 3/20 0.49
▸ HDAC9 Q9UKV0 3/20 0.49
▸ HDAC5 Q9UQL6 3/20 0.49
▸ CHRM2 P08172 1/20 0.47
▸ S1PR1 P21453 2/20 0.43
▸ S1PR3 Q99500 2/20 0.43
▸ S1PR2 O95136 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL11977638 0.92 FOLH1 (0.67) FOLH1
SCHEMBL17676352 0.92 FOLH1 (0.67) FOLH1
SCHEMBL20274494 0.90 FOLH1 (0.55) FOLH1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11977611 0.88 FOLH1 (0.70) FOLH1HDAC3HDAC1HDAC2HDAC8
SCHEMBL21992144 0.87 FOLH1 (0.69) FOLH1HDAC3HDAC1HDAC2HDAC8
SCHEMBL11977640 0.83 FOLH1 (0.56) FOLH1S1PR1ALDH1A1
SCHEMBL11977626 0.82 FOLH1 (0.80) FOLH1
SCHEMBL15449629 0.82 FOLH1 (0.80) FOLH1
SCHEMBL11977619 0.82 FOLH1 (0.83) FOLH1
SCHEMBL11977607 0.81 FOLH1 (0.84) FOLH1

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-9309193-B2 Heterodimers of glutamic acid MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-04-12 — — US disclosed
US-8487129-B2 Heterodimers of glutamic acid MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2013-07-16 — — US disclosed
US-20120208988-A1 HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHTS PHARMACEUTICALS, INC. (US) 2012-08-16 — — 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-20120208988-A1 HETERODIMERS OF GLUTAMIC ACID DDO, GLUL, ASNS FOLH1 5/4885HDAC3 417/4885HDAC4 2414/4885

“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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