SCHEMBL24491129

SCHEMBL24491129

CC(C)(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCn2cc(C(C)(C)C)nn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.35
▸ SIRT2 Q8IXJ6 8/20 0.34
▸ SIRT1 Q96EB6 7/20 0.34
▸ C3AR1 Q16581 1/20 0.34
▸ ROCK2 O75116 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ SIRT3 Q9NTG7 3/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31
▸ SIRT5 Q9NXA8 2/20 0.31
▸ MC4R P32245 3/20 0.31

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
SCHEMBL24491180 0.89 FOLH1 (0.39) FOLH1SIRT2SIRT1C3AR1ROCK2
SCHEMBL23974299 0.88 FOLH1 (0.38) FOLH1SIRT2SIRT1C3AR1DGAT1
SCHEMBL24451211 0.88 DGAT1 (0.33) FOLH1SIRT2SIRT1DGAT1SIRT3
SCHEMBL24451140 0.88 DGAT1 (0.33) FOLH1SIRT2SIRT1DGAT1SIRT3
SCHEMBL24472555 0.87 FAP (0.32) FOLH1SIRT2SIRT1DGAT1SIRT3
SCHEMBL24472556 0.87 FAP (0.32) FOLH1SIRT2SIRT1DGAT1SIRT3
SCHEMBL24491154 0.85 FOLH1 (0.38) FOLH1
SCHEMBL24479319 0.84 DGAT1 (0.33) FOLH1SIRT2SIRT1DGAT1SIRT3
SCHEMBL24450764 0.83 FAP (0.33) FOLH1SIRT2SIRT1DGAT1SIRT3
SCHEMBL24491200 0.80 FOLH1 (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220175761-A1 BI-LIGAND DRUG CONJUGATE AND USE THEREOF COHERENT BIOPHARMA SUZHOU LTD (CN) 2022-06-09 — — 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-20220175761-A1 BI-LIGAND DRUG CONJUGATE AND USE THEREOF SLC10A1, CD47, SELPLG FOLH1 234/4885SIRT2 2300/4885SIRT1 2453/4885

“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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