Sugi Predict

Sugi Predict / Compounds / SCHEMBL2201612

SCHEMBL2201612

SCHEMBL2201612

ON=C(Cl)c1c(Cl)cccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ TSHR P16473 3/20 0.37
▸ LMNA P02545 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CTBP2 P56545 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ SLC22A1 O15245 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ ADRA2B P18089 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
SCHEMBL10426802 1.00 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2A6TSHRLMNA
SCHEMBL1106341 1.00 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2A6TSHRLMNA
SCHEMBL5772875 0.85 ALDH1A1 (0.48) ALDH1A1LMNAJAK2CYP3A4JAK1
SCHEMBL19900000 0.85 ALDH1A1 (0.48) ALDH1A1POLBTYK2HTR2AHTR2C
SCHEMBL29387927 0.85 ALDH1A1 (0.48) ALDH1A1LMNAJAK2CYP3A4JAK1
SCHEMBL11893724 0.85 ALDH1A1 (0.48) ALDH1A1LMNAJAK2CYP3A4JAK1
SCHEMBL11911197 0.85 ALDH1A1 (0.48) ALDH1A1LMNAJAK2CYP3A4JAK1
SCHEMBL19899998 0.85 ALDH1A1 (0.48) ALDH1A1POLBTYK2HTR2AHTR2C
SCHEMBL23277213 0.80 TYK2 (0.46) ALDH1A1CYP3A4TYK2SMN1; SMN2MEN1
SCHEMBL22789943 0.80 CA1 (0.44) ALDH1A1TSHRLMNAHPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2025-04-10 — — US disclosed
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders ARDELYX, INC. (US) 2025-01-28 — — US disclosed
CN-115504972-B Isoxazole derivatives, preparation method thereof and application thereof as medicines 广东药科大学 2024-11-12 — — CN disclosed
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-08-08 — — US disclosed
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-02-27 — — US disclosed
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-02-27 — — US disclosed
CN-116925059-A Novel isoxazole FXR agonist, preparation method thereof and application thereof as medicine 广东药科大学 2023-10-24 — — CN disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 — — US disclosed
CN-114315844-B FXR regulator and preparation method and application thereof 中国科学院上海药物研究所 2023-06-27 — — CN disclosed
CN-110678450-B Isoxazole derivatives as nuclear receptor agonists and uses thereof 日东制药株式会社 2023-06-20 — — CN disclosed
EP-0314422-B1 N-PHENYLALKYLBENZAMIDE FUNGICIDES DOWELANCO (US) 1993-07-28 — — EP disclosed
US-4957533-A THIOAMIDES, AMIDINES ELI LILLY AND COMPANY (US) 1990-09-18 — — US disclosed
US-4910221-A Having a halogen group in position 4 of ring BAYER AKTIENGESELLSCHAFT (DE) 1990-03-20 — — US disclosed
US-4859235-A Pesticidal α-methylsulphonyl-benzaldoximes and carbamates thereof BAYER AKTIENGESELLSCHAFT (DE) 1989-08-22 — — US disclosed
EP-0314422-A2 N-phenylalkylbenzamide fungicides DOWELANCO (US) 1989-05-03 — — EP disclosed
EP-0286964-A2 Alpha-methyl-sulfonyl-benzadoxime carbamate BAYER AG (DE) 1988-10-19 — — EP disclosed
EP-0286970-A2 Alpha-methyl-sulfonyl-benzaldoxime derivatives BAYER AG (DE) 1988-10-19 — — EP disclosed
EP-0208110-A1 Fungicidal agent based on a benzaldoxime derivative BAYER AG (DE) 1987-01-14 — — EP disclosed
US-4125397-A HERBICIDE CHEVRON RESEARCH COMPANY (US) 1978-11-14 — — US disclosed
US-4123255-A PREEMERGENCE HERBICIDES CHEVRON RESEARCH COMPANY (US) 1978-10-31 — — 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 (5 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-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 ALDH1A1 968/4885CYP1A2 310/4885CYP2A6 493/4885
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders NR1H4, FXR1, GLP1R ALDH1A1 2057/4885CYP1A2 504/4885CYP2A6 327/4885
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 ALDH1A1 1135/4885CYP1A2 195/4885CYP2A6 286/4885
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 ALDH1A1 840/4885CYP1A2 203/4885CYP2A6 384/4885
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R ALDH1A1 2057/4885CYP1A2 504/4885CYP2A6 327/4885

“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.