SCHEMBL21857625

SCHEMBL21857625

COC(=O)c1ccc(-c2ccc(F)cc2)cc1NC(=O)c1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ACLY P53396 3/20 0.45
▸ HDAC2 Q92769 1/20 0.44
▸ KDM4E B2RXH2 8/20 0.44
▸ TP53 P04637 1/20 0.43
▸ BCL2L1 Q07817 1/20 0.43
▸ BAD Q92934 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ATM Q13315 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PYGL P06737 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL21953488 0.95 CYP1A2 (0.52) RAB9ALMNACYP1A2CYP2D6TSHR
SCHEMBL21857536 0.90 LMNA (0.54) RAB9ALMNAACLYHDAC2BCL2L1
SCHEMBL30268261 0.90 LMNA (0.54) RAB9ALMNAACLYHDAC2BCL2L1
SCHEMBL21857609 0.85 ACLY (0.52) RAB9ALMNAACLYHDAC2BCL2L1
SCHEMBL30268470 0.85 ACLY (0.52) RAB9ALMNAACLYHDAC2BCL2L1
SCHEMBL21856899 0.80 ACLY (0.65) RAB9ALMNACYP1A2ALDH1A1HPGD
SCHEMBL12369429 0.79 KDM4E (0.60) RAB9ALMNACYP1A2CYP2D6TSHR
SCHEMBL2274953 0.76 ACLY (0.67) RAB9AACLYHDAC2MAPTNPC1
SCHEMBL2272122 0.75 DHODH (0.57) ALDH1A1ACLYHDAC2MAPT
SCHEMBL293611 0.75 KDM4E (0.55) RAB9ALMNATSHRALDH1A1SMN1; SMN2

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-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 RAB9A 4602/4885LMNA 4383/4885CYP1A2 4076/4885

“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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