SCHEMBL21857477

SCHEMBL21857477

CC1(C)CCC(c2ccc(C(=O)O)c(N)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 2/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ APP P05067 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TBK1 Q9UHD2 5/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ BLM P54132 1/20 0.40

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
SCHEMBL30280786 0.83 ACMSD (0.58) ACMSDCYP3A4TDP1ALDH1A1ALOX15
SCHEMBL27718282 0.81 ACMSD (0.64) ACMSDCYP3A4TDP1ALDH1A1ALOX15
SCHEMBL2405092 0.76 KMT2A (0.58) ACMSDTDP1ALDH1A1TBK1KMT2A
SCHEMBL27636958 0.72 ACMSD (0.47) ACMSDCYP3A4TDP1ALDH1A1ALOX15
SCHEMBL26116353 0.72 ALDH1A1 (0.49) ALDH1A1ALOX15TBK1MAPTKDM4E
SCHEMBL28283624 0.72 ACMSD (0.69) ACMSDTDP1ALDH1A1TBK1KMT2A
SCHEMBL27883024 0.72 MYC (0.39) KMT2AMEN1RECQLBLMKDM4E
SCHEMBL21857223 0.72 ACMSD (0.43) ACMSDCYP3A4APPCYP2D6CYP2C9
SCHEMBL21857300 0.72 ACMSD (0.43) ACMSDCYP3A4APPCYP2D6CYP2C9
Bicarbonate SCHEMBL9685782 0.71 CYP2C9 (0.48) CYP3A4APPCYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 — — US disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 — — US disclosed
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 — — CN disclosed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 — — WO disclosed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 — — 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 ACMSD 3939/4885CYP3A4 2539/4885APP 1095/4885

“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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