Sugi Predict

Sugi Predict / Compounds / SCHEMBL18907700

SCHEMBL18907700

SCHEMBL18907700

COCCOc1ccc(F)cc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ CYP2D6 P10635 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HTR1A P08908 6/20 0.37
▸ HTR7 P34969 6/20 0.37
▸ DRD2 P14416 2/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 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
SCHEMBL24869054 0.87 CYP1A2 (0.42) CYP1A2CYP2C19L3MBTL1KMT2AMEN1
SCHEMBL9945953 0.85 HTR2A (0.46) CYP1A2CYP2C19L3MBTL1KMT2AMEN1
SCHEMBL17830890 0.83 ALDH1A1 (0.44) CYP1A2CYP2C19L3MBTL1KMT2AMEN1
SCHEMBL11890399 0.82 L3MBTL1 (0.43) CYP1A2CYP2C19L3MBTL1CYP2D6TDP1
SCHEMBL21816455 0.81 FDPS (0.36) CYP1A2CYP2C19L3MBTL1KMT2AMEN1
SCHEMBL18959733 0.81 ALDH1A1 (0.45) CYP1A2CYP2C19L3MBTL1KMT2AMEN1
SCHEMBL18908181 0.81 L3MBTL1 (0.36) CYP1A2CYP2C19L3MBTL1CYP2D6TDP1
SCHEMBL18961580 0.80 CYP1A2 (0.33) CYP1A2CYP2C19L3MBTL1KMT2AMEN1
SCHEMBL19361580 0.80 KCNH2 (0.34) CYP1A2CYP2C19L3MBTL1KMT2ACYP2D6
SCHEMBL19361585 0.79 CYP1A2 (0.34) CYP1A2CYP2C19L3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941158-B2 Pyrazole ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2021-03-09 — — US disclosed
EP-3380478-B1 ESTER ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2020-12-23 — — EP disclosed
US-10800791-B2 Triazole ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2020-10-13 — — US disclosed
US-20190241582-A1 Triazole ACC inhibitors and uses thereof Nimbus Apollo, Inc. 2019-08-08 — — US disclosed
WO-2017091600-A9 PYRAZOLE ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2018-07-19 — — WO disclosed
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 — — US disclosed
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 — — US disclosed
US-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 — — US disclosed
WO-2017091617-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 — — WO disclosed
WO-2017091602-A1 ESTER ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 — — 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 (6 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-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 CYP1A2 1023/4885CYP2C19 897/4885L3MBTL1 2726/4885
US-20170166582-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, PC CYP1A2 354/4885CYP2C19 398/4885L3MBTL1 3724/4885
US-20190241582-A1 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 CYP1A2 385/4885CYP2C19 533/4885L3MBTL1 2994/4885
US-10800791-B2 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 CYP1A2 385/4885CYP2C19 533/4885L3MBTL1 2994/4885
US-10941158-B2 Pyrazole ACC inhibitors and uses thereof ACACA, ACACB, PC CYP1A2 354/4885CYP2C19 398/4885L3MBTL1 3724/4885
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT1 CYP1A2 385/4885CYP2C19 533/4885L3MBTL1 2994/4885

“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.