Sugi Predict

Sugi Predict / Compounds / SCHEMBL793480

SCHEMBL793480

SCHEMBL793480

CC(C)(C#N)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 7/20 0.48
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ ORAI1 Q96D31 1/20 0.38
▸ ORAI2 Q96SN7 1/20 0.38
▸ ORAI3 Q9BRQ5 1/20 0.38
▸ TRPV6 Q9H1D0 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ BRCA1 P38398 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ DHODH Q02127 2/20 0.38
▸ MYC P01106 1/20 0.36
▸ WDR5 P61964 1/20 0.36
▸ TAAR1 Q96RJ0 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
SCHEMBL6563317 0.87 KIF11 (0.41) KIF11ALDH1A1TSHRKDM4EMEN1
SCHEMBL2534039 0.81 RAB9A (0.37) KIF11ALDH1A1MEN1KMT2A
SCHEMBL28057001 0.81 CYP19A1 (0.41) KIF11ALDH1A1CES2MEN1KMT2A
SCHEMBL11044204 0.80 KIF11 (0.52) KIF11ALDH1A1TSHRKDM4EMEN1
SCHEMBL23176906 0.79 RORC (0.37) KIF11
SCHEMBL1625398 0.79 TSHR (0.45) KIF11ALDH1A1TSHRCES2MGLL
SCHEMBL307338 0.78 TSHR (0.52) KIF11ALDH1A1TSHRDHODH
SCHEMBL21874093 0.77 TRPV1 (0.43) KIF11ALDH1A1TSHRMEN1ALOX15
SCHEMBL306585 0.76 KIF11 (0.59) KIF11ALDH1A1TSHR
SCHEMBL1244431 0.76 ESR1 (0.55) ALDH1A1TSHRKDM4EMEN1ALOX15

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848598-B Heterocyclic compound, application thereof and composition containing same 健艾仕生物医药有限公司 2024-12-10 — — CN disclosed
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-09-26 — — US disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 — — EP disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 — — EP disclosed
US-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME GENEROS BIOPHARMA LTD. (CN) 2023-03-30 — — US disclosed
US-20220411362-A1 DITERPENOID COMPOUNDS THAT ACT ON PROTEIN KINASE C (PKC) K-GEN THERAPEUTICS, INC. 2022-12-29 — — US disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 — — WO disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 — — WO disclosed
CN-114685363-A ROR gamma t regulator, preparation method and application thereof 上海医药集团股份有限公司 2022-07-01 — — CN disclosed
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 — — CN disclosed
US-7132443-B2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINEBEECHAM CORPORATION (US) 2006-11-07 — — US disclosed
EP-1046635-B1 Process for preparing an aromatic compound substituted by a tertiary nitrile PFIZER PROD INC (US) 2004-12-29 — — EP disclosed
US-20040171848-A1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-09-02 — — US disclosed
CN-1138756-C Preparation of tirt nitrile substituted aromatic compound �Ʒ� 2004-02-18 — — CN disclosed
US-6303782-B1 TREATING A FLUORINE-SUBSTITUTED AROMATIC COMPOUND WITH A SECONDARY NITRILE IN THE PRESENCE OF A BASE PFIZER INC 2001-10-16 — — US disclosed
EP-1046635-A1 Process for preparing an aromatic compound substituted by a tertiary nitrile Pfizer Products Inc. (US) 2000-10-25 — — EP disclosed
WO-1998020878-A1 5-[φ-(SUBSTITUTED ARYL)ALKENYLENE AND ALKYNYLENE]-2,4-DIAMINOPYRIMIDINES AS PESTICIDES FMC CORPORATION (US) 1998-05-22 — — WO disclosed
US-5696259-A 2,4-diamino-5-iodopyrimidines useful as pesticide intermediates FMC CORPORATION (US) 1997-12-09 — — US disclosed
US-5622954-A INSECTICIDE FMC CORPORATION (US) 1997-04-22 — — US disclosed
US-5502054-A LARVACIDES FOR INSECTS SUCH AS TOBACCO BUDWORM FMC CORPORATION (US) 1996-03-26 — — 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 (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-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME STAT5A, STAT5B, JAK2 KIF11 2431/4885ALDH1A1 3812/4885TSHR 1005/4885
US-20040171848-A1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 KIF11 4166/4885ALDH1A1 1496/4885TSHR 3062/4885
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF RORC, RORB, RORA KIF11 981/4885ALDH1A1 1160/4885TSHR 971/4885
US-20220411362-A1 DITERPENOID COMPOUNDS THAT ACT ON PROTEIN KINASE C (PKC) PRKCA, PRKCH, PRKCB KIF11 2269/4885ALDH1A1 4294/4885TSHR 3921/4885

“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.