SCHEMBL20047489

SCHEMBL20047489

CC(C)c1cccc2nc(C(F)(F)F)c(C(C)(C)C)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.36
▸ KDM4E B2RXH2 5/20 0.34
▸ MAPT P10636 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KHK P50053 1/20 0.33
▸ HPGD P15428 3/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ CASP1 P29466 1/20 0.32

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
SCHEMBL20047554 0.80 GAA (0.38) GAAKDM4EMAPTTAAR1KMT2A
SCHEMBL20047580 0.80 GAA (0.38) GAAKDM4EMAPTTAAR1KMT2A
SCHEMBL23502487 0.76 GAA (0.42) GAAKDM4EMAPTLMNATAAR1
SCHEMBL20047490 0.74 NR1H2 (0.35) GAAKDM4EMAPTCYP1A2CYP2C9
SCHEMBL30753419 0.72 MAPT (0.42) GAAKDM4EMAPTTAAR1KMT2A
SCHEMBL20047538 0.71 CYP1A2 (0.39) KDM4EMAPTLMNACYP1A2CYP2C19
SCHEMBL20047582 0.70 BCL2L11 (0.34) KDM4ELMNACYP1A2CYP2C9CYP2C19
SCHEMBL19012577 0.70 ENPP1 (0.40) KDM4ELMNAALDH1A1HPGDKDM1A
SCHEMBL23502449 0.70 NR1H2 (0.33) GAAKDM4EMAPT
SCHEMBL30753418 0.70 KDM4E (0.42) GAAKDM4EMAPTLMNATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 GAA 614/4885KDM4E 4232/4885MAPT 4191/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 GAA 614/4885KDM4E 4232/4885MAPT 4191/4885

“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.

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