Sugi Predict

Sugi Predict / Compounds / SCHEMBL1051707

SCHEMBL1051707

SCHEMBL1051707

CC(=O)Nc1ccc(Cl)cc1C(O)(C#CC1CC1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PDK1 Q15118 2/20 0.40
▸ PDK2 Q15119 2/20 0.40
▸ PDK3 Q15120 2/20 0.40
▸ PDK4 Q16654 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CCR1 P32246 1/20 0.35

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
SCHEMBL13685998 1.00 AR (0.47) ARKDM4EHSD17B10RAB9ACYP1A2
SCHEMBL523375 0.89 PDK1 (0.46) ARKDM4ERAB9ACYP1A2CYP2D6
SCHEMBL523374 0.89 PDK1 (0.46) ARKDM4ERAB9ACYP1A2CYP2D6
SCHEMBL16556712 0.86 AR (0.43) ARKDM4ERAB9ACYP1A2CYP2D6
SCHEMBL17378666 0.85 AR (0.44) ARRAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL14034147 0.83 AR (0.47) ARKDM4ERAB9ACYP1A2CYP2D6
SCHEMBL12929226 0.83 ALDH1A1 (0.43) ARKDM4ERAB9ASMN1; SMN2GAA
SCHEMBL14525275 0.79 AR (0.56) ARSMN1; SMN2MAPTHTTLMNA
SCHEMBL9941766 0.79 AR (0.52) ARHSD17B10PDK1PDK2PDK3
SCHEMBL9941767 0.79 AR (0.52) ARHSD17B10PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378143-B2 Methods of making Efavirens and intermediates thereof APOTEX PHARMACHEM INC. (CA) 2013-02-19 — — US disclosed
US-20120095249-A1 METHODS OF MAKING EFAVIRENS AND INTERMEDIATES THEREOF APOTEX PHARMACHEM INC. (CA) 2012-04-19 — — US disclosed
US-8080655-B2 Methods of making efavirenz and intermediates thereof APOTEX PHARMACHEM INC. (CA) 2011-12-20 — — US disclosed
WO-2011009203-A1 METHODS OF MAKING EFAVIRENZ AND INTERMEDIATES THEREOF APOTEX PHARMACHEM INC. (CA) 2011-01-27 — — WO disclosed
US-20110015189-A1 METHODS OF MAKING EFAVIRENZ AND INTERMEDIATES THEREOF APOTEX PHARMACHEM INC. (CA) 2011-01-20 — — 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-20110015189-A1 METHODS OF MAKING EFAVIRENZ AND INTERMEDIATES THEREOF CYP2F1, CYP4F11, CYP4F3 AR 4311/4885KDM4E 1703/4885HSD17B10 57/4885
US-20120095249-A1 METHODS OF MAKING EFAVIRENS AND INTERMEDIATES THEREOF CYP2F1, CYP4F11, CYP4F3 AR 4132/4885KDM4E 1890/4885HSD17B10 48/4885

“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.