SCHEMBL23588094

SCHEMBL23588094

C=C(Cc1nc(Cc2ccc(C(C)(C)C)cc2)no1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.39
▸ COPS5 Q92905 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ KLF5 Q13887 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ LMNA P02545 1/20 0.36

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
SCHEMBL23588299 0.88 MAPT (0.39) ALDH1A1MAPTHDAC6TSHRMAPK1
SCHEMBL23588278 0.88 S1PR1 (0.41) EGLN1ALDH1A1MAPTHDAC6TSHR
SCHEMBL23578414 0.86 TP53 (0.38) TP53NPC1CYP1A2CYP2C19CYP2C9
SCHEMBL25805242 0.85 TSHR (0.41) ALDH1A1MAPTHDAC6TSHRMAPK1
SCHEMBL23588168 0.84 MAPT (0.40) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL25216596 0.84 MAPT (0.48) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL23588142 0.82 KMT2A (0.35) ALDH1A1MAPTHDAC6TSHRMAPK1
SCHEMBL23588038 0.82 ALDH1A1 (0.43) TP53CYP1A2ALDH1A1MAPTTSHR
SCHEMBL25299009 0.81 ALDH1A1 (0.45) ALDH1A1MAPTHPGDKMT2A
SCHEMBL23588105 0.81 NPC1 (0.49) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2

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 7 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
EP-4081511-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2022-11-02 — — EP disclosed
CN-115066418-A Carboxy derivatives with anti-inflammatory properties 西特瑞治疗有限公司 2022-09-16 — — CN disclosed
WO-2021130492-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2021-07-01 — — WO 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 TP53 2221/4885NPC1 4019/4885CYP1A2 820/4885

“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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