SCHEMBL25296476

SCHEMBL25296476

C=C(Cc1nc(-c2ccc(CCCCC(F)(F)F)cc2)no1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 7/20 0.46
▸ HDAC2 Q92769 7/20 0.46
▸ HDAC1 Q13547 4/20 0.46
▸ FFAR1 O14842 2/20 0.45
▸ S1PR4 O95977 1/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ S1PR3 Q99500 1/20 0.44
▸ S1PR5 Q9H228 1/20 0.44
▸ SPHK1 Q9NYA1 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL23578022 0.92 S1PR4 (0.51) HDAC8HDAC2HDAC1FFAR1S1PR4
SCHEMBL25801985 0.86 HDAC8 (0.43) HDAC8HDAC2HDAC1FFAR1S1PR4
SCHEMBL23588257 0.85 SPHK1 (0.58) S1PR1S1PR3S1PR5SPHK1ALDH1A1
SCHEMBL23578423 0.84 SPHK1 (0.54) FFAR1S1PR4S1PR1S1PR5SPHK1
SCHEMBL23588220 0.84 FFAR1 (0.46) HDAC8HDAC2HDAC1FFAR1ATM
SCHEMBL23578444 0.80 RAB9A (0.50) FFAR1SPHK1ALDH1A1L3MBTL1
SCHEMBL25801979 0.78 S1PR4 (0.44) HDAC8HDAC2HDAC1FFAR1S1PR4
SCHEMBL23578065 0.78 HDAC8 (0.34) HDAC8HDAC2HDAC1
SCHEMBL25255028 0.78 HDAC8 (0.34) HDAC8HDAC2HDAC1
SCHEMBL25252400 0.77 HDAC8 (0.41) HDAC8HDAC2HDAC1ALDH1A1ATM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115066418-A Carboxy derivatives with anti-inflammatory properties 西特瑞治疗有限公司 2022-09-16 — — CN claimed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 — — US disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 — — US disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 — — US disclosed
CN-115066418-A Carboxy derivatives with anti-inflammatory properties 西特瑞治疗有限公司 2022-09-16 — — CN 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 HDAC8 2705/4885HDAC2 1538/4885HDAC1 1829/4885

“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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