SCHEMBL6478492

SCHEMBL6478492

COc1ccc([C@H](O)[C@@H](O)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.50
AKR1C3 P42330 6/20 0.49
AKR1C2 P52895 6/20 0.49
PTGS2 P35354 3/20 0.49
PTGS1 P23219 3/20 0.49
CYP1A2 P05177 2/20 0.49
CDC42 P60953 1/20 0.49
RAC1 P63000 1/20 0.49
TSHR P16473 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
AOC3 Q16853 2/20 0.47
ACP3 P15309 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRM4 Q14833 1/20 0.46
CES2 O00748 1/20 0.45

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
SCHEMBL23298286 1.00 LDHA (0.50) LDHAAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL7082950 1.00 LDHA (0.50) LDHAAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL30404277 1.00 LDHA (0.50) LDHAAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL18325177 0.83 AKR1C3 (0.51) LDHAAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL18082663 0.83 AKR1C3 (0.51) LDHAAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL8022182 0.83 AKR1C3 (0.51) LDHAAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL10480695 0.83 RAB9A (0.47) CA1CA2AOC3CES2CES1
SCHEMBL7082815 0.83 RAB9A (0.47) CA1CA2AOC3CES2CES1
SCHEMBL9322760 0.81 ACHE (0.64) LDHAAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL16119284 0.81 ACHE (0.64) LDHAAKR1C3AKR1C2PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024102421-A2 COMPOUNDS, COMPLEXES, AND METHODS FOR THEIR PREPARATION AND OF THEIR USE Revolution Medicines, Inc. (US) 2024-05-16 WO disclosed
EP-4334324-A1 COVALENT RAS INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2024-03-13 EP disclosed
US-11739074-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-08-29 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
EP-4208261-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS Revolution Medicines, Inc. (US) 2023-07-12 EP disclosed
WO-2022235866-A1 COVALENT RAS INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-11-10 WO disclosed
CN-114901366-A RAS inhibitors 锐新医药公司 2022-08-12 CN disclosed
US-20210130326-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2021-05-06 US disclosed
US-6881839-B2 Process for preparing diltiazem using a heterogeneous trifunctional catalyst COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-04-19 US disclosed
US-20040127704-A1 Process for preparing diltiazem using a heterogeneous trifunctional catalyst COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-07-01 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 (4 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-11739074-B2 Ras inhibitors KRAS, NRAS, HRAS LDHA 4546/4885AKR1C3 3360/4885AKR1C2 3223/4885
US-20210130326-A1 RAS INHIBITORS KRAS, NRAS, HRAS LDHA 4330/4885AKR1C3 4025/4885AKR1C2 3878/4885
US-20040127704-A1 Process for preparing diltiazem using a heterogeneous trifunctional catalyst CYP2W1, INMT, TST LDHA 1660/4885AKR1C3 1693/4885AKR1C2 1336/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR LDHA 2952/4885AKR1C3 3936/4885AKR1C2 3967/4885

“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.