SCHEMBL6005381

SCHEMBL6005381

C[C@@H](Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.53
PPARD Q03181 1/20 0.53
TRPA1 O75762 1/20 0.53
CPA1 P15085 1/20 0.51
TBXAS1 P24557 2/20 0.51
KMT2A Q03164 1/20 0.49
PPARG P37231 2/20 0.47
MAPK1 P28482 1/20 0.47
PTGS1 P23219 4/20 0.47
PTGS2 P35354 4/20 0.47
LMNA P02545 2/20 0.47
CYP2C9 P11712 2/20 0.47
AKR1C3 P42330 2/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
ALB P02768 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX5 P09917 1/20 0.47
RARB P10826 1/20 0.47
ADRB3 P13945 1/20 0.47

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
SCHEMBL1515224 1.00 PPARA (0.53) PPARAPPARDTRPA1CPA1TBXAS1
SCHEMBL11237591 0.89 TBXAS1 (0.59) TBXAS1PTGS1PTGS2LMNACYP2C9
SCHEMBL27506589 0.85 TRPA1 (0.47) PPARAPPARDTRPA1CPA1KMT2A
SCHEMBL16474009 0.85 TRPA1 (0.50) PPARAPPARDTRPA1CPA1KMT2A
SCHEMBL15012163 0.84 TRPA1 (0.53) PPARAPPARDTRPA1CPA1KMT2A
SCHEMBL19553694 0.83 PTGS1 (0.66) TBXAS1PTGS1PTGS2LMNACYP2C9
SCHEMBL8587665 0.83 ENPEP (0.47) PPARAPPARDTRPA1CPA1KMT2A
SCHEMBL21400125 0.82 TRPA1 (0.52) PPARAPPARDTRPA1CPA1KMT2A
SCHEMBL15881064 0.82 TRPA1 (0.52) TRPA1CPA1KMT2AMAPK1TSHR
SCHEMBL11996333 0.82 TBXAS1 (0.53) PPARATBXAS1KMT2APPARGPTGS1

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-20240024410-A1 THREE-DIMENTIONAL SURFACE FOR PROTEIN AND SMALL MOLECULE MICROARRAYS THE JOHNS HOPKINS UNIVERSITY 2024-01-25 US disclosed
US-11708391-B2 Rapaglutins, novel inhibitors of GLUT and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2023-07-25 US disclosed
US-20230138310-A1 PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND FRONTIER BIOTECHNOLOGIES INC. (CN) 2023-05-04 US disclosed
US-9150899-B2 Identification of compounds modifying a cellular response 2CUREX (DK) 2015-10-06 US disclosed
US-20130123140-A1 IDENTIFICATION OF COMPOUNDS MODIFYING A CELLULAR RESPONSE 2CUREX (DK) 2013-05-16 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 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-11708391-B2 Rapaglutins, novel inhibitors of GLUT and use thereof SLC2A1, SLC2A4, SLC2A2 PPARA 1487/4885PPARD 2131/4885TRPA1 4209/4885
US-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP PPARA 350/4885PPARD 150/4885TRPA1 1023/4885
US-20240024410-A1 THREE-DIMENTIONAL SURFACE FOR PROTEIN AND SMALL MOLECULE MICROARRAYS MRPS23, CD2BP2, MRPL21 PPARA 4336/4885PPARD 4129/4885TRPA1 4689/4885
US-20230138310-A1 PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND ACE, ACE2, TMPRSS2 PPARA 741/4885PPARD 769/4885TRPA1 1686/4885

“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.