Sugi Predict

Sugi Predict / Compounds / SCHEMBL6554327

SCHEMBL6554327

SCHEMBL6554327

CCC(=O)c1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.55
▸ TDP1 Q9NUW8 3/20 0.55
▸ TSHR P16473 2/20 0.55
▸ HTT P42858 3/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ KMT2A Q03164 3/20 0.49
▸ MAPT P10636 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ RORC P51449 1/20 0.45
▸ THRB P10828 1/20 0.44

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
SCHEMBL12173885 0.87 ALDH1A1 (0.55) ALDH1A1TDP1TSHRHTTCYP3A4
SCHEMBL12491792 0.85 ALDH1A1 (0.53) ALDH1A1TDP1TSHRHTTCYP3A4
SCHEMBL31415407 0.85 GSK3B (0.56) ALDH1A1TDP1TSHRHTTCYP3A4
SCHEMBL6565927 0.83 L3MBTL1 (0.62) ALDH1A1TDP1TSHRHTTTP53
SCHEMBL29365364 0.83 L3MBTL1 (0.62) ALDH1A1TDP1TSHRHTTTP53
SCHEMBL27400561 0.83 GPR35 (0.51) ALDH1A1TDP1TSHRHTTTP53
SCHEMBL9044256 0.83 TDP1 (0.54) ALDH1A1TDP1TSHRHTTCYP3A4
SCHEMBL6983176 0.82 ALDH1A1 (0.55) ALDH1A1TDP1TSHRHTTKMT2A
SCHEMBL1978006 0.82 MAPT (0.56) ALDH1A1HTTTP53KMT2AMAPT
SCHEMBL6568119 0.82 KDM4E (0.58) TSHRCYP3A4TP53KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179578-A1 OX1 ANTAGONISTS HEPTARES THERAPEUTICS LTD (GB) 2021-06-17 — — US disclosed
US-20180057465-A1 Inhibitors of Necroptosis CATALYST THERAPEUTICS PTY LTD (AU) 2018-03-01 — — US disclosed
CN-106132406-A β substituted γ aminoacid and analog as chemotherapeutics 夸德里加生物科学公司 2016-11-16 — — CN disclosed
US-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 — — US disclosed
CN-100445272-C Non-steroidal (hetero) cyclically substd. acylanilides with mixed gestagen and androgen activity SCHERING AG (DE) 2008-12-24 — — CN disclosed
US-7320983-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-01-22 — — US disclosed
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-04-05 — — US disclosed
EP-0986545-B1 NON-STEROIDAL (HETERO) CYCLICALLY SUBSTITUTED ACYLANILIDES WITH MIXED GESTAGEN AND ANDROGEN ACTIVITY SCHERING AG (DE) 2004-12-29 — — EP disclosed
EP-1133486-B1 NONSTEROIDAL ANTIINFLAMMATORIES SCHERING AG (DE) 2004-12-22 — — EP disclosed
US-20030203902-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-30 — — US disclosed
US-6548534-B2 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-15 — — US disclosed
US-20020016365-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-07 — — US disclosed
US-6344454-B1 CONTRACEPTIVE PREPARATIONS,TREATMENT OF ENDOMETRIOSIS, GYNECOLOGICAL DISORDERS,PREMENSTRUAL SYMPTOMS, MALE BIRTH CONTROL, MALE HRT AND HORMONE THERAPY AND FOR TREATING ANDROLOGICAL DISEASE AGENTS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-05 — — US disclosed
US-6323199-B1 AROMATIC HETEROCYCLIC HYDROXY AMINES OR AMIDES FOR TREATMENT OF INFLAMMATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-11-27 — — US disclosed
EP-1133486-A2 NONSTEROIDAL ANTIINFLAMMATORIES SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-19 — — EP disclosed
US-6245804-B1 CONTRACEPTIVES; UROGENITAL DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-12 — — US disclosed
CN-1258286-A Non-steroidal (hetero) cyclically substd. acylanilides with mixed gestagen and androgen activity SCHERING AG (DE) 2000-06-28 — — CN disclosed
WO-2000032584-A2 NONSTEROIDAL ANTIINFLAMMATORIES SCHERING AKTIENGESELLSCHAFT (DE) 2000-06-08 — — WO disclosed
EP-0986545-A1 NON-STEROIDAL (HETERO) CYCLICALLY SUBSTITUTED ACYLANILIDES WITH MIXED GESTAGEN AND ANDROGEN ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-22 — — EP disclosed
WO-1998054159-A1 NON-STEROIDAL (HETERO) CYCLICALLY SUBSTITUTED ACYLANILIDES WITH MIXED GESTAGEN AND ANDROGEN ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-03 — — 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 (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-20020016365-A1 Nonsteroidal gestagens NR5A1, GPER1, ESR2 ALDH1A1 540/4885TDP1 2402/4885TSHR 279/4885
US-20210179578-A1 OX1 ANTAGONISTS HCRTR1, HCRTR2, OXTR ALDH1A1 974/4885TDP1 2632/4885TSHR 166/4885
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP ALDH1A1 1555/4885TDP1 1447/4885TSHR 4734/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 ALDH1A1 624/4885TDP1 2862/4885TSHR 251/4885
US-20180057465-A1 Inhibitors of Necroptosis RIPK3, RIPK1, AIFM1 ALDH1A1 4651/4885TDP1 673/4885TSHR 4108/4885

“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.