SCHEMBL3347144

SCHEMBL3347144

O=C(O)[C@@H](O)Cc1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.56
PNMT P11086 2/20 0.55
CTBP2 P56545 1/20 0.51
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
MME P08473 2/20 0.46
ACE P12821 2/20 0.46
LMNA P02545 1/20 0.45
NR4A2 P43354 1/20 0.45
CTSV O60911 2/20 0.45
CTSL P07711 2/20 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
SCHEMBL8592637 1.00 KDM6B (0.56) KDM6BPNMTCTBP2ALDH1A1KMT2A
SCHEMBL3470119 0.87 PNMT (0.56) PNMTCTBP2ALDH1A1KMT2AMEN1
SCHEMBL10830281 0.85 CTSV (0.49) PNMTCTBP2ALDH1A1KMT2AMEN1
SCHEMBL7626979 0.84 PNMT (0.53) PNMTCTBP2ALDH1A1KMT2AMEN1
SCHEMBL42994 0.82 SLC7A5 (0.65) PNMTRECQLKIF11
SCHEMBL298829 0.82 SLC7A5 (0.65) PNMTRECQLKIF11
SCHEMBL29353281 0.82 SLC7A5 (0.65) PNMTRECQLKIF11
SCHEMBL31324842 0.82 PNMT (0.61) PNMTCTBP2TSHRRECQLMME
SCHEMBL30046991 0.82 SLC7A5 (0.65) PNMTRECQLKIF11
SCHEMBL8595114 0.82 KMT2A (0.54) CTBP2ALDH1A1KMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3504197-B1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-11-17 EP disclosed
WO-2021217041-A1 N-SUBSTITUTED ALPHA-AMINO AND ALPHA-HYDROXY CARBOXAMIDE DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO disclosed
WO-2021217041-A1 N-SUBSTITUTED ALPHA-AMINO AND ALPHA-HYDROXY CARBOXAMIDE DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO disclosed
US-11001555-B2 Difluoroketamide derivatives as HTRA1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2021-05-11 US disclosed
US-10870623-B2 Trifluoromethylpropanamide derivatives as HTRA1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-12-22 US disclosed
EP-3504193-A1 NEW DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-07-03 EP disclosed
EP-3504197-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-07-03 EP disclosed
US-20190185426-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-06-20 US disclosed
US-20190185427-A1 DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-06-20 US disclosed
WO-2018036957-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-03-01 WO disclosed
WO-2018036942-A1 NEW DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-03-01 WO disclosed
US-8883720-B2 Template-fixed beta-hairpin peptidomimetics with CXCR4 antagonizing activity POLYPHOR AG (CH) 2014-11-11 US disclosed
US-20110312879-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2011-12-22 US disclosed
WO-2010060479-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2010-06-03 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 (5 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-20110312879-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY CXCL12, CXCR4, CXCR1 KDM6B 4503/4885PNMT 3925/4885CTBP2 1719/4885
US-11001555-B2 Difluoroketamide derivatives as HTRA1 inhibitors HTRA1, HTR1A, HTR1F KDM6B 1947/4885PNMT 1591/4885CTBP2 4138/4885
US-20190185426-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HTRA1, HTRA2, HTR1A KDM6B 2449/4885PNMT 2100/4885CTBP2 2210/4885
US-10870623-B2 Trifluoromethylpropanamide derivatives as HTRA1 inhibitors HTRA1, HTR1A, HTR1F KDM6B 2353/4885PNMT 1242/4885CTBP2 2168/4885
US-20190185427-A1 DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS HTRA1, HTR1A, HTR1F KDM6B 1947/4885PNMT 1591/4885CTBP2 4138/4885

“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.