SCHEMBL627998

SCHEMBL627998

O=C(O)c1cc(F)c(F)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
TTR P02766 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CA3 P07451 1/20 0.40
MAPT P10636 1/20 0.40
SELL P14151 1/20 0.40
HPGD P15428 1/20 0.40
SELP P16109 1/20 0.40
FUT4 P22083 1/20 0.40

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
SCHEMBL29738542 1.00 CES2 (0.45) CES2CES1LMNAMAPK1TTR
SCHEMBL628083 0.82 CES2 (0.43) CES2CES1CA1CA2CA4
SCHEMBL29234172 0.82 CES1 (0.43) CES2CES1KIF11
SCHEMBL28652802 0.82 KIF11 (0.51) CES2CES1CA5ARXRARXRB
SCHEMBL23526674 0.81 KDM4E (0.40) TTRCA12CA1CA2CA7
SCHEMBL20914845 0.81 TPMT (0.42) TTRHSD17B10HCAR1RXRARXRB
SCHEMBL3230982 0.81 TTR (0.48) TTRHCAR1SRD5A2KMOTPMT
SCHEMBL19151611 0.81 HDAC1 (0.43) LMNAMAPK1TTRCA12CA1
SCHEMBL24275875 0.81 TPMT (0.42) LMNAMAPK1TTRCA12CA1
SCHEMBL29624946 0.81 TPMT (0.42) LMNAMAPK1TTRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4055016-B1 GPR52 MODULATOR COMPOUNDS NXERA PHARMA UK LTD (GB) 2026-04-29 EP disclosed
US-20230416203-A1 POTENT AND SELECTIVE INHIBITORS OF THE CALCIUM-ACTIVATED POTASSIUM CHANNEL, KCA3.1, FOR USE AS PLATFORM THERAPEUTICS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2023-12-28 US disclosed
EP-4251611-A1 POTENT AND SELECTIVE INHIBITORS OF THE CALCIUM-ACTIVATED POTASSIUM CHANNEL, Kca3.1, FOR USE AS PLATFORM THERAPEUTICS Nanyang Technological University (SG) 2023-10-04 EP disclosed
US-20230002374-A1 GPR52 MODULATOR COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2023-01-05 US disclosed
US-20230002374-A1 GPR52 MODULATOR COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2023-01-05 US disclosed
EP-4055016-A1 GPR52 MODULATOR COMPOUNDS Heptares Therapeutics Limited (GB) 2022-09-14 EP disclosed
WO-2022115043-A1 POTENT AND SELECTIVE INHIBITORS OF THE CALCIUM-ACTIVATED POTASSIUM CHANNEL, KCa3.1, FOR USE AS PLATFORM THERAPEUTICS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2022-06-02 WO disclosed
CN-107667439-B Formulations comprising organic semiconductors and metal complexes 默克专利有限公司 2021-01-05 CN disclosed
CN-107681052-B Main group metal complexes as p-dopants for organic electronic matrix materials 西门子公司 2020-03-24 CN disclosed
US-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-03-29 US disclosed
EP-2419412-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-02-22 EP disclosed
WO-2010120741-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (US) 2010-10-21 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 (3 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-20230002374-A1 GPR52 MODULATOR COMPOUNDS GPR52, GPR119, GPR4 CES2 2485/4885CES1 1098/4885LMNA 3427/4885
US-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) RBP4, RBP1, FABP4 CES2 4213/4885CES1 1651/4885LMNA 1913/4885
US-20230416203-A1 POTENT AND SELECTIVE INHIBITORS OF THE CALCIUM-ACTIVATED POTASSIUM CHANNEL, KCA3.1, FOR USE AS PLATFORM THERAPEUTICS KCNN3, KCNN1, KCNN2 CES2 3989/4885CES1 1715/4885LMNA 1096/4885

“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.