SCHEMBL5525147

SCHEMBL5525147

CCC=C(C(=O)OCC)C(=O)c1cc(F)c(F)c(Cl)c1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GPR35 Q9HC97 4/20 0.38
GAA P10253 1/20 0.36
GLO1 Q04760 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
ABCB1 P08183 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DHODH Q02127 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL10773784 0.93 NPSR1 (0.40) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL10473858 0.90 MEN1 (0.40) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL7010290 0.89 MAPT (0.41) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL7054038 0.88 MEN1 (0.42) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL10774566 0.86 GPR35 (0.39) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL5525144 0.86 NPSR1 (0.39) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL10630627 0.86 MEN1 (0.39) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL7005347 0.86 NPSR1 (0.39) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL5525140 0.86 NPSR1 (0.39) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL29733801 0.86 NPSR1 (0.39) NPSR1MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US disclosed
EP-1732897-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS Bayer Pharmaceuticals Corporation (US) 2006-12-20 EP disclosed
WO-2005097752-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-20 WO disclosed
EP-0945435-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2003-08-13 EP disclosed
EP-0952151-B1 Intermediates for use in preparing novel pyridonecarboxylic acid derivatives or their salts WAKUNAGA PHARMA CO LTD (JP) 2003-05-28 EP disclosed
EP-0992501-B1 Pyridonecarboxylic acid derivatives as antibacterial agents WAKUNAGA PHARMA CO LTD (JP) 2002-08-28 EP disclosed
EP-0911327-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR THEIR SALTS AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2001-12-05 EP disclosed
US-6156903-A Pyridonecarboxylic acid derivatives or their salts, and antibacterial agents containing the same as their effective components WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-12-05 US disclosed
US-6136823-A BACTERICIDES OR VIRICIDES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
US-6133284-A EXCELLENT BACTERICIDAL PROPERTIES AND ORAL ABSORPTION; INFECTIONS FROM GRAMNEGATIVE AND -POSITIVE BACTERIA; INTESTINAL ABSORPTION, METABOLIC STABILITY; SIDE EFFECT REDUCTION; NONPHOTOTOXICITY AND NONCYTOTOXICITY WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed
EP-0366149-B1 IMPROVED PROCESS FOR THE SYNTHESIS OF 3-CHLORO-2,4,5-TRIFLUOROBENZOIC ACID WARNER-LAMBERT COMPANY (US) 1993-01-13 EP disclosed
US-5072038-A Chemical intermediates for bactericides BAYER AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
EP-0366149-A1 Improved process for the synthesis of 3-chloro-2,4,5-trifluorobenzoic acid WARNER-LAMBERT COMPANY (US) 1990-05-02 EP disclosed
US-4885386-A Process for the synthesis of 3-chloro-2,4,5-trifluorobenzoic acid WARNER-LAMBERT COMPANY (US) 1989-12-05 US disclosed
EP-0183129-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES KYORIN PHARMACEUTICAL CO., LTD. (JP) 1989-08-09 EP disclosed
US-4771054-A QUINOLINE CARBOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1988-09-13 US disclosed
EP-0235762-A1 8-Position substituted quinolone-carboxylic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 EP disclosed
EP-0195841-A1 Quinolinecarboxylic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1986-10-01 EP disclosed
EP-0195316-A1 Quinolonecarboxylic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1986-09-24 EP disclosed
EP-0183129-A1 Quinolonecarboxylic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1986-06-04 EP 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 (1 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-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions TP53, RB1, HRAS NPSR1 4427/4885MEN1 1653/4885KMT2A 2389/4885

“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.