SCHEMBL3081885

SCHEMBL3081885

CC(Oc1ccc(F)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
GAA P10253 1/20 0.65
CYP2C9 P11712 1/20 0.65
PKM P14618 1/20 0.65
CYP2C19 P33261 1/20 0.65
ALDH1A1 P00352 1/20 0.64
TDP1 Q9NUW8 2/20 0.59
PPARG P37231 4/20 0.51
PPARA Q07869 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
POLB P06746 1/20 0.47
TBXAS1 P24557 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL9818914 1.00 CYP1A2 (0.65) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL9819072 1.00 CYP1A2 (0.65) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11154253 0.94 CYP1A2 (0.59) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL4262556 0.89 CYP1A2 (0.77) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11511086 0.86 NR4A2 (0.61) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL6617425 0.84 ALDH1A1 (0.64) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11550164 0.83 CYP1A2 (0.69) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL8900988 0.83 CYP1A2 (0.69) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL23368023 0.82 ALDH1A1 (0.53) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11209577 0.82 ALDH1A1 (0.62) CYP1A2GAACYP2C9PKMCYP2C19

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730714-B2 Compounds for the treatment of neuromuscular disorders NMD PHARMA A/S (DK) 2023-08-22 US disclosed
US-11730714-B2 Compounds for the treatment of neuromuscular disorders NMD PHARMA A/S (DK) 2023-08-22 US disclosed
CN-110156813-B Heterocyclic compounds as TRK inhibitors 北京诺诚健华医药科技有限公司 2023-07-25 CN disclosed
US-20220409566-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-12-29 US disclosed
US-20220142961-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-05-12 US disclosed
US-11318111-B2 CCL5 inhibitors LAPKO INC (US) 2022-05-03 US disclosed
US-11299745-B1 Herbicide resistance genes DOW AGROSCIENCES LLC (US) 2022-04-12 US disclosed
US-20220098610-A1 NOVEL HERBICIDE RESISTANCE GENES DOW AGROSCIENCES LLC (US) 2022-03-31 US disclosed
US-11147788-B2 Compounds for the treatment of neuromuscular disorders NMD PHARMA A/S (DK) 2021-10-19 US disclosed
US-20210196665-A1 CCL5 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-07-01 US disclosed
US-4155905-A 6-Substituted penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1979-05-22 US disclosed
US-4125732-A HYPOLIPIDEMIC AMERICAN CYANAMID COMPANY (US) 1978-11-14 US disclosed
US-4119487-A FROM 3-CHLORO-2-SULFOPROPIONIC ACID NATIONAL STARCH & CHEMICAL CORPORATION (US) 1978-10-10 US disclosed
US-4077967-A 6-Substituted penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4061851-A 7-Amino-7-arylthio cephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4061629-A 6-Amino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4029669-A 6-Benzalimino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-06-14 US disclosed
US-4026886-A 7-Acyl-7-arylthiocephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-05-31 US disclosed
US-3965093-A 6-Arylthio penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1976-06-22 US disclosed
US-3954744-A ANTIBACTERIAL E. R. SQUIBB & SONS, INC. (US) 1976-05-04 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 (6 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-20220142961-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 CYP1A2 2919/4885GAA 2392/4885CYP2C9 1183/4885
US-11730714-B2 Compounds for the treatment of neuromuscular disorders RYR1, CACNB1, RYR2 CYP1A2 4681/4885GAA 2463/4885CYP2C9 4788/4885
US-11147788-B2 Compounds for the treatment of neuromuscular disorders RYR1, CACNB1, RYR2 CYP1A2 4681/4885GAA 2463/4885CYP2C9 4788/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 CYP1A2 2919/4885GAA 2392/4885CYP2C9 1183/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 CYP1A2 2919/4885GAA 2392/4885CYP2C9 1183/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 CYP1A2 2919/4885GAA 2392/4885CYP2C9 1183/4885

“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.