Sugi Predict

Sugi Predict / Compounds / SCHEMBL18907896

SCHEMBL18907896

SCHEMBL18907896

C=C(C)CCO[C@@H](CO)c1cc(F)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMEL1 Q495T6 1/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 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
SCHEMBL18908499 0.88 HTR2A (0.33) MMEL1FFAR1FFAR4SMN1; SMN2HTR2A
SCHEMBL18894555 0.88 HTR2A (0.33) MMEL1FFAR1FFAR4SMN1; SMN2HTR2A
SCHEMBL18821185 0.86 KCNH2 (0.38) MMEL1USP2SMN1; SMN2HTR2AHTR2C
SCHEMBL18820640 0.85 USP2 (0.40) MMEL1FFAR1FFAR4USP2SMN1; SMN2
SCHEMBL28629604 0.85 USP2 (0.40) MMEL1FFAR1FFAR4USP2SMN1; SMN2
SCHEMBL18796878 0.83 NR3C1 (0.33) MMEL1USP2SMN1; SMN2LMNAHTR2A
SCHEMBL19361582 0.83 USP2 (0.39) USP2SMN1; SMN2LMNACYP1A2HTR2A
SCHEMBL19361586 0.82 KDM4E (0.38) MMEL1FFAR1FFAR4HTR2AHTR2C
SCHEMBL18821229 0.81 CASP1 (0.34) USP2SMN1; SMN2HTR2AHTR2C
SCHEMBL18908225 0.80 PGR (0.41) SMN1; SMN2LMNAHTR2AHTR2CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912718-B2 Solid forms of a thienopyrimidinedione ACC inhibitor and methods for production thereof GILEAD APOLLO, LLC (US) 2024-02-27 — — US disclosed
US-11912718-B2 Solid forms of a thienopyrimidinedione ACC inhibitor and methods for production thereof GILEAD APOLLO, LLC (US) 2024-02-27 — — US disclosed
US-10800791-B2 Triazole ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2020-10-13 — — US disclosed
US-20200148699-A1 SOLID FORMS OF A THIENOPYRIMIDINEDIONE ACC INHIBITOR AND METHODS FOR PRODUCTION THEREOF GILEAD APOLLO, LLC 2020-05-14 — — US disclosed
US-20190225623-A1 SOLID FORMS OF A THIENOPYRIMIDINEDIONE ACC INHIBITOR AND METHODS FOR PRODUCTION THEREOF NIMBUS DISCOVERY, INC. 2019-07-25 — — US disclosed
US-10183951-B2 Solid forms of a thienopyrimidinedione ACC inhibitor and methods for production thereof GILEAD APOLLO, LLC (US) 2019-01-22 — — US disclosed
US-20170267690-A1 SOLID FORMS OF A THIENOPYRIMIDINEDIONE ACC INHIBITOR AND METHODS FOR PRODUCTION THEREOF J.P. LAWSON CONSULTING LLC 2017-09-21 — — US disclosed
US-20170267690-A1 SOLID FORMS OF A THIENOPYRIMIDINEDIONE ACC INHIBITOR AND METHODS FOR PRODUCTION THEREOF J.P. LAWSON CONSULTING LLC 2017-09-21 — — 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 (7 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-20170267690-A1 SOLID FORMS OF A THIENOPYRIMIDINEDIONE ACC INHIBITOR AND METHODS FOR PRODUCTION THEREOF ACACA, ACACB, COASY MMEL1 4019/4885FFAR1 3381/4885FFAR4 3306/4885
US-11912718-B2 Solid forms of a thienopyrimidinedione ACC inhibitor and methods for production thereof ACACA, ACACB, COASY MMEL1 4019/4885FFAR1 3381/4885FFAR4 3306/4885
US-20200148699-A1 SOLID FORMS OF A THIENOPYRIMIDINEDIONE ACC INHIBITOR AND METHODS FOR PRODUCTION THEREOF ACACA, ACACB, COASY MMEL1 4019/4885FFAR1 3381/4885FFAR4 3306/4885
US-10183951-B2 Solid forms of a thienopyrimidinedione ACC inhibitor and methods for production thereof ACACA, ACACB, COASY MMEL1 4019/4885FFAR1 3381/4885FFAR4 3306/4885
US-20190225623-A1 SOLID FORMS OF A THIENOPYRIMIDINEDIONE ACC INHIBITOR AND METHODS FOR PRODUCTION THEREOF ACACA, ACACB, COASY MMEL1 4019/4885FFAR1 3381/4885FFAR4 3306/4885
US-10800791-B2 Triazole ACC inhibitors and uses thereof ACACA, ACACB, ACAT1 MMEL1 2332/4885FFAR1 2886/4885FFAR4 2952/4885
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT1 MMEL1 2332/4885FFAR1 2886/4885FFAR4 2952/4885

“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.