SCHEMBL21675673

SCHEMBL21675673

CC(C)c1ccc(C(=O)OCc2ccccc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
LMNA P02545 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
MAPT P10636 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 4/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
JMJD6 Q6NYC1 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL26837509 0.83 MAOB (0.46) KMT2ALMNATDP1MAPTALDH1A1
SCHEMBL15075593 0.81 KMT2A (0.64) KMT2ALMNATDP1SLC6A2SLC6A3
SCHEMBL1118038 0.81 CA12 (0.50) LMNAMAPTHPGDRAB9ANPC1
SCHEMBL24218219 0.81 POLB (0.57) KMT2ALMNATDP1SLC6A2SLC6A3
SCHEMBL4984363 0.80 KMT2A (0.62) KMT2ALMNATDP1SLC6A2SLC6A3
SCHEMBL9628165 0.80 KMT2A (0.62) KMT2ALMNATDP1SLC6A2SLC6A3
SCHEMBL4886266 0.80 LMNA (0.66) KMT2ALMNATDP1SLC6A2SLC6A3
SCHEMBL14186819 0.79 LMNA (0.51) KMT2ALMNATDP1SLC6A2SLC6A3
SCHEMBL12094203 0.79 KMT2A (0.57) KMT2ALMNATDP1SLC6A2SLC6A3
SCHEMBL23182807 0.79 KMT2A (0.57) KMT2ALMNATDP1SLC6A2SLC6A3

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
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-20220024906-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2022-01-27 US disclosed
EP-3805218-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2021-04-14 EP disclosed
EP-3152214-B1 IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2020-01-29 EP 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A KMT2A 4505/4885LMNA 4118/4885TDP1 264/4885
US-20220024906-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 KMT2A 3772/4885LMNA 2339/4885TDP1 75/4885

“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.