SCHEMBL1094432

SCHEMBL1094432

OB(O)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TRPV6 Q9H1D0 2/20 0.43
ORAI1 Q96D31 1/20 0.43
ORAI2 Q96SN7 1/20 0.43
ORAI3 Q9BRQ5 1/20 0.43
NQO2 P16083 1/20 0.43
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KIF11 P52732 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE2A O00408 2/20 0.38
ESR1 P03372 1/20 0.38
CES2 O00748 2/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL29955080 1.00 MGLL (0.48) MGLLMEN1KMT2ATRPV6ORAI1
SCHEMBL15010827 0.83 MGLL (0.48) MGLLMEN1KMT2ATRPV6ORAI1
SCHEMBL29508599 0.83 MGLL (0.48) MGLLMEN1KMT2ATRPV6ORAI1
SCHEMBL1396618 0.83 MGLL (0.52) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL7978271 0.81 ALDH1A1 (0.61) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL7241535 0.81 ALDH1A1 (0.61) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4841354 0.79 MGLL (0.48) MGLLMEN1KMT2ATRPV6ORAI1
SCHEMBL319539 0.79 MGLL (0.48) MGLLMEN1KMT2ATRPV6ORAI1
SCHEMBL29427029 0.79 MGLL (0.48) MGLLMEN1KMT2ATRPV6ORAI1
SCHEMBL29525163 0.79 MGLL (0.48) MGLLMEN1KMT2ATRPV6ORAI1

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12297208-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2025-05-13 US disclosed
US-12291538-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2025-05-06 US disclosed
US-20240083913-A1 Small Molecule Inhibitors of KRAS G12C Mutant MERCK SHARP & DOHME LLC 2024-03-14 US disclosed
US-20240043448-A1 Small Molecule Inhibitors of KRAS G12C Mutant MERCK SHARP & DOHME LLC 2024-02-08 US disclosed
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2023-07-11 US disclosed
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2023-07-11 US disclosed
EP-4051678-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-09-07 EP disclosed
WO-2021086833-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2021-05-06 WO disclosed
WO-2021086833-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2021-05-06 WO disclosed
US-20210122764-A1 Small Molecule Inhibitors of KRAS G12C Mutant MERCK SHARP & DOHME LLC 2021-04-29 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 US disclosed
WO-2010079443-A1 SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-07-15 WO disclosed
WO-2010079443-A1 SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-07-15 WO disclosed
CN-101048369-A Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2007-10-03 CN disclosed
CN-101035774-A Modulators of CRTH-2 receptor activity for the treatment of prostaglandin D2 mediated diseases ASTRAZENECA AB (SE) 2007-09-12 CN disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1611091-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2004089885-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-21 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 (8 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-12297208-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS MGLL 2399/4885MEN1 528/4885KMT2A 382/4885
US-20100197655-A1 SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, TPST2 MGLL 3158/4885MEN1 4141/4885KMT2A 3314/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 MGLL 1685/4885MEN1 3390/4885KMT2A 1676/4885
US-20240083913-A1 Small Molecule Inhibitors of KRAS G12C Mutant KRAS, NRAS, HRAS MGLL 2399/4885MEN1 528/4885KMT2A 382/4885
US-12291538-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS MGLL 2399/4885MEN1 528/4885KMT2A 382/4885
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS MGLL 2464/4885MEN1 529/4885KMT2A 381/4885
US-20240043448-A1 Small Molecule Inhibitors of KRAS G12C Mutant KRAS, NRAS, HRAS MGLL 2399/4885MEN1 528/4885KMT2A 382/4885
US-20210122764-A1 Small Molecule Inhibitors of KRAS G12C Mutant KRAS, NRAS, HRAS MGLL 2464/4885MEN1 529/4885KMT2A 381/4885

“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.