Sugi Predict

Sugi Predict / Compounds / SCHEMBL18908200

SCHEMBL18908200

SCHEMBL18908200

COc1ccc(F)cc1[C@H](CO)O[C@H]1C[C@@H](OCc2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ DRD4 P21917 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ NAAA Q02083 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ FFAR4 Q5NUL3 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ SLC18A3 Q16572 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 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
SCHEMBL18908182 1.00 HTR2A (0.38) HTR2AHTR2CDRD4SIGMAR1KDM1A
SCHEMBL18908176 1.00 HTR2A (0.38) HTR2AHTR2CDRD4SIGMAR1KDM1A
SCHEMBL18820764 1.00 HTR2A (0.38) HTR2AHTR2CDRD4SIGMAR1KDM1A
SCHEMBL21570596 0.85 NAAA (0.39) SIGMAR1ACACBNAAAALDH1A1CYP2C19
SCHEMBL18908199 0.83 PTGDR2 (0.36) DRD4SIGMAR1ACACBSMN1; SMN2FFAR4
SCHEMBL18908173 0.82 ACACB (0.35) HTR2AHTR2CDRD4ACACBSMN1; SMN2
SCHEMBL18908198 0.82 ACACB (0.35) HTR2AHTR2CDRD4ACACBSMN1; SMN2
SCHEMBL18820760 0.82 ACACB (0.35) HTR2AHTR2CDRD4ACACBSMN1; SMN2
SCHEMBL22994419 0.78 ACACA (0.43) HTR2AHTR2CACACB
SCHEMBL22994452 0.78 ACACA (0.43) HTR2AHTR2CACACB

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-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
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 — — US disclosed
US-20170166584-A1 TRIAZOLE 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

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-20190241582-A1 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 HTR2A 4785/4885HTR2C 4420/4885DRD4 4854/4885
US-10800791-B2 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 HTR2A 4785/4885HTR2C 4420/4885DRD4 4854/4885
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT1 HTR2A 4785/4885HTR2C 4420/4885DRD4 4854/4885

“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.