SCHEMBL24234121

SCHEMBL24234121

Cc1ccc(C)c(OC2(C(=O)O)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.47
▸ CYP2C9 P11712 2/20 0.45
▸ TDP1 Q9NUW8 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TTR P02766 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C8 P10632 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ SLCO1B3 Q9NPD5 1/20 0.42
▸ CISD1 Q9NZ45 1/20 0.42
▸ SLCO1B1 Q9Y6L6 1/20 0.42
▸ HTT P42858 4/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL22116354 0.94 TSHR (0.45) TSHRCYP2C9TDP1SMN1; SMN2TTR
SCHEMBL22116380 0.85 CSNK2A1 (0.43) TSHRCYP2C9TDP1SMN1; SMN2HTT
SCHEMBL22116370 0.84 SMN1; SMN2 (0.37) TSHRCYP2C9TDP1SMN1; SMN2TTR
SCHEMBL22116320 0.81 NPSR1 (0.34) TSHRCYP2C9HTTALDH1A1L3MBTL1
SCHEMBL22116403 0.80 PTGDR2 (0.42) TSHRPPARAHTTLMNAL3MBTL1
SCHEMBL22116314 0.80 KMT2A (0.33) TSHRCYP2C9SMN1; SMN2HTTLMNA
SCHEMBL22116398 0.79 SLC9A3 (0.33) TSHRCYP2C9LMNAKDM4EL3MBTL1
SCHEMBL22116351 0.78 TSHR (0.36) TSHRCYP2C9TDP1SMN1; SMN2TTR
SCHEMBL22116357 0.78 PTGDR2 (0.49) LMNAKDM4EALDH1A1
SCHEMBL28605969 0.78 MGLL (0.39) TSHRCYP2C9TDP1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897832-B1 N-(PYRIDIN-2-YLSULFONYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF A CFTR MEDIATED DISEASE NOVARTIS AG (CH) 2023-10-11 — — EP disclosed
US-20220033407-A1 N-(pyridin-2-ylsulfonyl)cyclopropanecarboxamide Derivatives and their Use in the Treatment of Disease NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2022-02-03 — — US disclosed
CN-113226464-A N- (pyridin-2-ylsulfonyl) cyclopropanecarboxamide derivatives and their use in the treatment of CFTR mediated diseases 诺华股份有限公司 2021-08-06 — — 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-20220033407-A1 N-(pyridin-2-ylsulfonyl)cyclopropanecarboxamide Derivatives and their Use in the Treatment of Disease CFTR, PKD2, PKD1 TSHR 2998/4885CYP2C9 1085/4885TDP1 3138/4885

“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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