Sugi Predict

Sugi Predict / Compounds / SCHEMBL20899804

SCHEMBL20899804

SCHEMBL20899804

C#Cc1ccc(C(N)(CC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PTPN1 P18031 1/20 0.38
▸ RARB P10826 1/20 0.35
▸ RARG P13631 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SHBG P04278 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ GRM1 Q13255 1/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 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
SCHEMBL20899803 1.00 CYP1A2 (0.44) CYP1A2MEN1KMT2APTPN1RARB
SCHEMBL20899694 0.84 MEN1 (0.44) CYP1A2MEN1KMT2ACA1CA2
SCHEMBL20899691 0.84 MEN1 (0.44) CYP1A2MEN1KMT2ACA1CA2
SCHEMBL21150257 0.80 MEN1 (0.38) CYP1A2MEN1KMT2APTPN1CYP2C19
SCHEMBL21112536 0.80 CYP1A2 (0.49) CYP1A2MEN1KMT2APOLBCYP2D6
SCHEMBL21112534 0.80 CYP1A2 (0.49) CYP1A2MEN1KMT2APOLBCYP2D6
SCHEMBL20899692 0.79 CYP1A2 (0.47) CYP1A2MEN1KMT2APOLBCYP2D6
SCHEMBL20899802 0.79 MEN1 (0.47) CYP1A2MEN1KMT2APTPN1
SCHEMBL20899718 0.79 CYP1A2 (0.47) CYP1A2MEN1KMT2APOLBCYP2D6
SCHEMBL20899801 0.79 MEN1 (0.47) CYP1A2MEN1KMT2APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694846-B1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2024-05-08 — — EP disclosed
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 — — US disclosed
US-20210078959-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2021-03-18 — — US disclosed
US-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 — — US disclosed
EP-3694846-A1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS Gilead Sciences, Inc. (US) 2020-08-19 — — EP disclosed
CN-111212832-A 1-benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2020-05-29 — — CN disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 — — US disclosed
WO-2019075291-A1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-04-18 — — 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 (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-20210078959-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, FURIN CYP1A2 2161/4885MEN1 2814/4885KMT2A 1556/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CYP1A2 2161/4885MEN1 2814/4885KMT2A 1556/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CYP1A2 2161/4885MEN1 2814/4885KMT2A 1556/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN CYP1A2 2655/4885MEN1 463/4885KMT2A 1129/4885

“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.