SCHEMBL29656807

SCHEMBL29656807

CCCCCCC(CCCCCC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BIRC2 Q13490 1/20 0.64
▸ TSHR P16473 1/20 0.55
▸ MMP2 P08253 13/20 0.53
▸ MMP1 P03956 8/20 0.53
▸ MMP3 P08254 8/20 0.53
▸ ERAP2 Q6P179 3/20 0.52
▸ LNPEP Q9UIQ6 2/20 0.52
▸ ERAP1 Q9NZ08 1/20 0.52
▸ CDK2 P24941 1/20 0.51
▸ MMP7 P09237 3/20 0.50
▸ IL1RN P18510 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL16212676 0.88 BIRC2 (0.53) BIRC2TSHRMMP2MMP1ERAP2
SCHEMBL21294072 0.88 MME (0.58) MMP2MMP1MMP3MMP7
SCHEMBL21294071 0.88 MME (0.58) MMP2MMP1MMP3MMP7
SCHEMBL30759487 0.83 ERAP2 (0.67) BIRC2TSHRERAP2LNPEPERAP1
SCHEMBL2337076 0.82 HDAC1 (0.66) NPSR1
SCHEMBL27910970 0.82 HDAC1 (0.66) NPSR1
SCHEMBL14472130 0.82 HDAC1 (0.66) NPSR1
SCHEMBL18220518 0.82 HDAC1 (0.66) NPSR1
SCHEMBL14472192 0.82 HDAC1 (0.66) NPSR1
Hydrochloric Acid SCHEMBL29094270 0.82 ESR1 (0.52) BIRC2TSHRERAP2LNPEPERAP1

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-11285119-B2 Anti-inflammatory composition NEOPHARM CO., LTD. (KR) 2022-03-29 — — 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-11285119-B2 Anti-inflammatory composition TNF, CUTA, IL6 BIRC2 1883/4885TSHR 4764/4885MMP2 416/4885

“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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