SCHEMBL13183609

SCHEMBL13183609

CO[C@](CF)(C(C)=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 3/20 0.43
▸ KCNN4 O15554 1/20 0.43
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CTRB1 P17538 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ EDNRB P24530 2/20 0.35
▸ EDNRA P25101 2/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ KCNE1 P15382 1/20 0.35
▸ KCNQ1 P51787 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CES2 O00748 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NR1H2 P55055 2/20 0.35
▸ NR1H3 Q13133 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ ALOX15 P16050 1/20 0.34

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
SCHEMBL7924474 0.87 CES1 (0.44) CES1KCNN4CYP2C19HIF1AMAPT
SCHEMBL18901487 0.84 CES1 (0.44) CES1KCNN4CYP2C19HIF1AMAPT
SCHEMBL12824175 0.81 CES1 (0.40) CES1KCNN4CYP2C19HIF1AMAPT
SCHEMBL2729130 0.74 CES1 (0.46) CES1KCNN4CYP2C19HIF1AMAPT
SCHEMBL6557126 0.73 CES1 (0.44) CES1KCNN4CYP2C19HIF1AMAPT
SCHEMBL6387363 0.73 CYP2C19 (0.53) CES1KCNN4CYP2C19HIF1AMAPT
SCHEMBL3363882 0.73 CES1 (0.44) CES1KCNN4CYP2C19HIF1AMAPT
SCHEMBL28753479 0.73 CES1 (0.44) CES1KCNN4CYP2C19HIF1AMAPT
SCHEMBL4662400 0.72 CYP2C19 (0.47) KCNN4CYP2C19HIF1AMAPTKMT2A
SCHEMBL6529359 0.71 MAPT (0.48) CES1KCNN4CYP2C19HIF1AMAPT

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
US-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 — — US disclosed
US-8933110-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-13 — — US disclosed
US-8927709-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-06 — — US disclosed
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-11-20 — — US disclosed
US-8822700-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-09-02 — — US disclosed
US-8785487-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 — — US disclosed
US-8703938-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-04-22 — — US disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 — — US disclosed
US-8623814-B2 Antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2014-01-07 — — US disclosed
US-20110300104-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-12-08 — — US disclosed
US-20110206637-A1 ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2011-08-25 — — US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 — — 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-20110300104-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CES1 21/4885KCNN4 4832/4885CYP2C19 418/4885
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS CES1 48/4885KCNN4 4457/4885CYP2C19 190/4885
US-20110206637-A1 ANTIVIRAL AGENTS EIF2AK2, ZC3HAV1, MAVS CES1 893/4885KCNN4 4781/4885CYP2C19 1728/4885
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CES1 70/4885KCNN4 4631/4885CYP2C19 180/4885

“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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