SCHEMBL8734218

SCHEMBL8734218

CC(C(C(=O)O)C(=O)O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
SLC7A5 Q01650 1/20 0.39
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
PTGS1 P23219 1/20 0.35
TSHR P16473 1/20 0.33
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31

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
SCHEMBL28314395 0.97 TP53 (0.38) TP53SLC7A5ALDH1A1MAPTPTGS1
SCHEMBL28314652 0.97 TP53 (0.38) TP53SLC7A5ALDH1A1MAPTPTGS1
SCHEMBL2464055 0.77 TP53 (0.40) TP53SLC7A5ALDH1A1MAPTPTGS1
SCHEMBL6872454 0.74 TP53 (0.38) TP53SLC7A5ALDH1A1
SCHEMBL22355731 0.74 TP53 (0.38) TP53SLC7A5ALDH1A1MAPTPTGS1
SCHEMBL9293324 0.74 TSHR (0.47) TP53SLC7A5ALDH1A1MAPTPTGS1
SCHEMBL593998 0.74 TP53 (0.50) TP53SLC7A5ALDH1A1TSHRSLC1A3
SCHEMBL20954001 0.73 ALDH1A1 (0.36) TP53SLC7A5ALDH1A1MAPTPTGS1
SCHEMBL5515350 0.72 DPP4 (0.37) TP53SLC7A5
SCHEMBL22091925 0.72 LMNA (0.38) TP53SLC7A5ALDH1A1MAPTPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109885-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-04-04 US disclosed
WO-2023217230-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-11-16 WO disclosed
EP-4257584-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-10-11 EP disclosed
CN-115867539-A 2, 3-dihydro-1H-pyrrolo [3,2-b ] pyridine derivatives, preparation method and application thereof 上海和誉生物医药科技有限公司 2023-03-28 CN disclosed
US-5716973-A ADMINISTERING DIFLUORO STATONE ANALOGS MERRELL PHARMACEUTICALS INC. (US) 1998-02-10 US disclosed
US-5559140-A VIRICIDES MERRELL PHARMACEUTICALS INC. (US) 1996-09-24 US disclosed
EP-0565631-B1 ANTI-VIRAL COMPOUNDS MERRELL PHARMA INC (US) 1996-09-18 EP disclosed
EP-0565631-A1 ANTI-VIRAL COMPOUNDS. MERRELL DOW PHARMA (US) 1993-10-20 EP disclosed
WO-1992012123-A1 ANTI-VIRAL COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-23 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-20240109885-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF WEE1, WEE2, EGFR TP53 7/4885SLC7A5 2731/4885ALDH1A1 1961/4885

“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.