SCHEMBL3080086

SCHEMBL3080086

CC(Cc1ccc([N+](=O)[O-])cc1)(C(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
PPARD Q03181 2/20 0.44
CES1 P23141 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
KCNJ1 P48048 1/20 0.44
IDO1 P14902 1/20 0.43
CES2 O00748 1/20 0.43
SRD5A2 P31213 1/20 0.43
MAOB P27338 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6667989 0.86 TSHR (0.49) TSHRCYP2C19CYP1A2LOXL2TDP1
SCHEMBL9308781 0.85 MMP8 (0.52) ALDH1A1CRHBPCRHR2KCNJ1
SCHEMBL9308189 0.85 LOXL2 (0.50) TSHRCYP2C19CYP1A2LOXL2ALDH1A1
SCHEMBL9705181 0.85 ALDH1A1 (0.49) TSHRCYP2C19CYP1A2LOXL2TDP1
SCHEMBL9207348 0.83 TSHR (0.50) TSHRCYP2C19CYP1A2LOXL2TDP1
SCHEMBL14340929 0.82 EIF4A1 (0.45) CYP2C19CYP1A2TDP1ALDH1A1HPGD
SCHEMBL678471 0.82 TSHR (0.52) TSHRCYP2C19CYP1A2LOXL2TDP1
SCHEMBL9308771 0.82 ALDH1A1 (0.56) TSHRCYP2C19LOXL2ALDH1A1IDO1
SCHEMBL1627332 0.80 TSHR (0.53) TSHRCYP2C19LOXL2ALDH1A1MAPK1
SCHEMBL2370645 0.80 MMP8 (0.52) ALDH1A1CRHBPCRHR2KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12264169-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners (US) 2025-04-01 US disclosed
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 US disclosed
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 US disclosed
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 US disclosed
US-11767334-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2023-09-26 US disclosed
US-11767334-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2023-09-26 US disclosed
US-11767334-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2023-09-26 US disclosed
US-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-01-26 US disclosed
US-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-01-26 US disclosed
EP-3842420-B1 HETEROARYL INHIBITORS OF PDE4 TETRA DISCOVERY PARTNERS LLC (US) 2022-12-07 EP disclosed
US-20150119362-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2015-04-30 US disclosed
US-20150119362-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2015-04-30 US disclosed
WO-2014066659-A9 HETEROARYL INHIBITORS OF PDE4 TETRA DISCOVERY PARTNERS, LLC. (US) 2015-02-12 WO disclosed
WO-2014066659-A9 HETEROARYL INHIBITORS OF PDE4 TETRA DISCOVERY PARTNERS, LLC. (US) 2015-02-12 WO disclosed
WO-2014066659-A1 HETEROARYL INHIBITORS OF PDE4 TETRA DISCOVERY PARTNERS, LLC. (US) 2014-05-01 WO disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
EP-0502595-A2 Amide chelates, their metal complexes and their use in diagnosis and therapy INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 1992-09-09 EP disclosed
US-4501896-A Phenylmercaptotetrazolo- and nitroindazolo masked development/image modifiers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-02-26 US disclosed
US-4343893-A RELEASED VIA ELECTRON TRANSFER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-08-10 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 (6 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-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C TSHR 3245/4885CYP2C19 1581/4885CYP1A2 848/4885
US-20150119362-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C TSHR 2794/4885CYP2C19 1357/4885CYP1A2 735/4885
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C TSHR 3245/4885CYP2C19 1581/4885CYP1A2 848/4885
US-11767334-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C TSHR 3245/4885CYP2C19 1581/4885CYP1A2 848/4885
US-12264169-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C TSHR 3245/4885CYP2C19 1581/4885CYP1A2 848/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 TSHR 678/4885CYP2C19 1899/4885CYP1A2 1772/4885

“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.