SCHEMBL25252400

SCHEMBL25252400

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 5/20 0.41
▸ HDAC2 Q92769 5/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ATM Q13315 1/20 0.39

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
SCHEMBL23578443 0.82 TP53 (0.45) HDAC8HDAC2HDAC1TSHRNPC1
SCHEMBL25294401 0.81 PTPRZ1 (0.36) ALDH1A1
SCHEMBL23578022 0.80 S1PR4 (0.51) HDAC8HDAC2HDAC1TSHRNPC1
SCHEMBL23588296 0.80 TSHR (0.46) TSHRALDH1A1NOTUMLMNAATM
SCHEMBL25802136 0.80 MAPT (0.53) HDAC8HDAC2HDAC1TSHRMAPT
SCHEMBL25807567 0.80 TSHR (0.46) TSHRALDH1A1NOTUMLMNAATM
SCHEMBL25290518 0.80 SIRT2 (0.52) TSHRNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL25295300 0.80 TSHR (0.63) HDAC2HDAC1TSHRMAPTMAPK1
SCHEMBL23578054 0.79 TSHR (0.43) HDAC8HDAC2HDAC1TSHRALDH1A1
SCHEMBL23578418 0.78 SMN1; SMN2 (0.43) HDAC8HDAC2HDAC1TSHRNPC1

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 4 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-12617762-B2 Carboxy derivatives with antiinflamatory properties SITRYX THERAPEUTICS LIMITED (GB) 2026-05-05 — — 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 (2 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
US-12617762-B2 Carboxy derivatives with antiinflamatory properties CCR1, CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HDAC8 2475/4885HDAC2 1319/4885HDAC1 1862/4885

“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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