Sugi Predict

Sugi Predict / Compounds / SCHEMBL3582465

SCHEMBL3582465

SCHEMBL3582465

Cc1cc(C(=O)O)cc([N+](=O)[O-])c1C

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.64
▸ CASP6 P55212 1/20 0.55
▸ TPMT P51580 1/20 0.53
▸ HCAR3 P49019 6/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CES2 O00748 1/20 0.49
▸ CES1 P23141 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL503451 0.90 TSHR (0.65) TSHRCASP6TPMTHCAR3MEN1
SCHEMBL754672 0.84 TSHR (0.62) TSHRCASP6TPMTHCAR3MEN1
SCHEMBL2903129 0.84 TPMT (0.64) TSHRCASP6TPMTHCAR3MEN1
SCHEMBL3597707 0.84 TSHR (0.62) TSHRCASP6TPMTHCAR3MEN1
SCHEMBL29795771 0.84 TSHR (0.62) TSHRCASP6TPMTHCAR3MEN1
SCHEMBL23699540 0.82 TSHR (0.56) TSHRCASP6TPMTHCAR3MEN1
SCHEMBL2902973 0.82 LMNA (0.60) TSHRCASP6TPMTHCAR3MEN1
SCHEMBL2671570 0.82 TSHR (0.56) TSHRCASP6TPMTHCAR3MEN1
SCHEMBL1509549 0.82 TSHR (0.60) TSHRCASP6TPMTHCAR3MEN1
SCHEMBL16387106 0.82 TSHR (0.60) TSHRCASP6TPMTHCAR3MEN1

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
US-20260125400-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2026-05-07 — — US disclosed
WO-2024220937-A2 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
US-9446012-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-09-20 — — US disclosed
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 — — US disclosed
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 — — US disclosed
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2014-01-23 — — US disclosed
US-8350065-B2 5,6-dimethyl xanthone-4-acetic acid derivatives and method of preparing the same GRAND PHARMA (CHINA) CO., LTD. (CN) 2013-01-08 — — US disclosed
US-8350065-B2 5,6-dimethyl xanthone-4-acetic acid derivatives and method of preparing the same GRAND PHARMA (CHINA) CO., LTD. (CN) 2013-01-08 — — US disclosed
EP-1926711-B1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE HOFFMANN LA ROCHE (CH) 2012-11-07 — — EP disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 — — US disclosed
US-20070032492-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-02-08 — — US disclosed
US-20070032492-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-02-08 — — US disclosed
US-20070032492-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-02-08 — — US disclosed
US-7166628-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-01-23 — — US disclosed
US-7166628-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-01-23 — — US disclosed
US-7166628-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-01-23 — — US disclosed
EP-1567507-B1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-06-14 — — EP disclosed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 — — EP disclosed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 — — WO disclosed
US-20040102492-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-27 — — 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-20260125400-A1 TYK2 DEGRADERS AND USES THEREOF TYK2, CSNK2A1, CSNK2A2 TSHR 256/4885CASP6 4105/4885TPMT 945/4885
US-20040102492-A1 Cytokine inhibitors IL1A, IL1B, IL1RN TSHR 2317/4885CASP6 689/4885TPMT 1837/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 TSHR 4337/4885CASP6 2899/4885TPMT 703/4885
US-20070032492-A1 Cytokine Inhibitors IL1B, IL1A, IL1RN TSHR 2200/4885CASP6 741/4885TPMT 2199/4885
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom MCCC2, AFF2, F13A1 TSHR 4737/4885CASP6 1214/4885TPMT 3768/4885

“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.