SCHEMBL25802137

SCHEMBL25802137

C=C(Cc1nc(-c2ccc(C)cc2)no1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.50
▸ HDAC8 Q9BY41 3/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ TSHR P16473 2/20 0.46
▸ LMNA P02545 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ FFAR1 O14842 1/20 0.45
▸ PSMB5 P28074 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL25801756 0.89 TSHR (0.55) MAPTHDAC8HDAC2TSHRLMNA
SCHEMBL25802125 0.89 MEN1 (0.46) TSHRLMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL25802130 0.89 TP53 (0.42) MAPTTSHRLMNAHPGDALDH1A1
SCHEMBL25807565 0.89 TP53 (0.42) MAPTTSHRLMNAHPGDALDH1A1
SCHEMBL23578358 0.86 TP53 (0.40) MAPTHDAC8HDAC2TSHRLMNA
SCHEMBL23588102 0.85 SPHK1 (0.48) MAPTLMNAHPGDFFAR1ALDH1A1
SCHEMBL23588077 0.85 ACACB (0.52) MAPTLMNAFFAR1SMN1; SMN2
SCHEMBL25801975 0.85 TP53 (0.43) MAPTHDAC8HDAC2TSHRLMNA
SCHEMBL23588271 0.84 SPHK1 (0.53) —
SCHEMBL25801979 0.84 S1PR4 (0.44) HDAC8HDAC2TSHRLMNAHDAC1

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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 — — 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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 MAPT 4683/4885HDAC8 2705/4885HDAC2 1538/4885

“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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