SCHEMBL20047604

SCHEMBL20047604

Cc1ccc2cc(C(C)(C)C)c(F)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
PTPN1 P18031 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL20043186 0.82 KCNH2 (0.34)
SCHEMBL29324287 0.81 CYP1A2 (0.48) CYP1A2PTPN1KDM4ELMNAPOLB
SCHEMBL4058013 0.81 CYP1A2 (0.56) CYP1A2PTPN1KDM4ELMNAPOLB
SCHEMBL15958525 0.79 CYP1A2 (0.46) CYP1A2PTPN1KDM4ELMNAPOLB
SCHEMBL7246121 0.79 PTPN1 (0.49) CYP1A2PTPN1KDM4ELMNAPOLB
SCHEMBL23502499 0.78 HPGDS (0.32)
SCHEMBL20047495 0.76 TERT (0.33)
SCHEMBL24633577 0.74 CYP1A2 (0.48) CYP1A2PTPN1KDM4ELMNAPOLB
SCHEMBL23797313 0.74 PTPN1 (0.51) CYP1A2PTPN1KDM4ELMNAPOLB
SCHEMBL13676595 0.74 PDGFRB (0.46) CYP1A2KDM4EPOLBCASP6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 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 (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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 CYP1A2 311/4885PTPN1 1449/4885KDM4E 4232/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 CYP1A2 311/4885PTPN1 1449/4885KDM4E 4232/4885
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CYP1A2 424/4885PTPN1 3891/4885KDM4E 3365/4885

“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.