SCHEMBL4553113

SCHEMBL4553113

Nc1ccccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
ADRA2B P18089 1/20 0.42
PTGS1 P23219 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
DRD2 P14416 4/20 0.39
DRD3 P35462 3/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA5A P35218 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL31272156 1.00 ALDH1A1 (0.42) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL1712875 0.86 DRD2 (0.43) ALDH1A1DRD2DRD3DRD1DRD4
SCHEMBL17310208 0.84 DRD2 (0.36) KDM4EMAPTCRHBPCRHR2DRD2
SCHEMBL6812319 0.82 ALDH1A1 (0.43) ALDH1A1TDP1DRD2DRD3DRD1
SCHEMBL7023211 0.80 DRD2 (0.42) ALDH1A1KDM4EMAPTDRD2DRD3
SCHEMBL16926997 0.78 DRD2 (0.41) KDM4EMAPTDRD2DRD3DRD1
SCHEMBL776669 0.78 DRD2 (0.40) DRD2DRD3DRD1DRD4DRD5
SCHEMBL6937413 0.78 HSD11B1 (0.50) ALDH1A1KDM4EMAPTDRD2DRD3
SCHEMBL22475388 0.78 ELANE (0.59) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL9396334 0.77 ALDH1A1 (0.50) ALDH1A1ADRA2BPTGS1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271364-A 3, 5-Dialkyl-4- (disubstituted phosphino) -1-alkyl-1H-pyrazole and preparation method and application thereof 香港理工大学深圳研究院 2024-07-02 CN disclosed
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 US disclosed
WO-2023214552-A1 TRIFLUOROMETHANE SULFONYLATION AGENT COMPOSITION AND METHOD FOR PRODUCING TRIFLUOROMETHANESULFONYLOXY COMPOUND OR TRIFLUOROMETHANE SULFONYL COMPOUND セントラル硝子株式会社 2023-11-09 WO disclosed
EP-4217353-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS Ermium Therapeutics (FR) 2023-08-02 EP disclosed
CN-114394933-A Method for synthesizing 11, 12-dihydro-gamma-oxo-dibenzo [ [ F ] azo-5- (6H) -butyric acid 厦门沃克沃德医药科技有限公司 2022-04-26 CN disclosed
WO-2022064075-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2022-03-31 WO disclosed
US-7479496-B2 Substituted spiro azabicyclics as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-20 US disclosed
US-7230022-B2 Substituted fused bicyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-12 US disclosed
US-7122547-B1 Anthranilic acid amides and the use thereof as medicaments SCHERING AG (DE) 2006-10-17 US disclosed
US-7081468-B2 Ortho-substituted anthranilic acid amides and their use as medicaments SCHERING AG (DE) 2006-07-25 US disclosed
CN-1237062-C Ortho-substituted anthranilic acid amides and their use as medicaments SCHERING AG (DE) 2006-01-18 CN disclosed
US-20050197373-A1 Substituted fused bicyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-09-08 US disclosed
US-20050197325-A1 Substituted spiro azabicyclics as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-09-08 US disclosed
US-6919356-B2 N-substituted heterocyclic amines as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB COMPANY (US) 2005-07-19 US disclosed
US-20040102441-A1 Ortho-substituted anthranilic acid amides and their use as medicaments BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-05-27 US disclosed
CN-1151133-C Anthranilic acid amides and the use thereof as medicaments ���ֹɷݹ�˾ 2004-05-26 CN disclosed
US-20040067935-A1 N-substituted heterocyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-04-08 US disclosed
CN-1427837-A Ortho-substituted anthranilic acid amides and their use as medicaments SCHERING AG (DE) 2003-07-02 CN disclosed
CN-1325384-A Anthranilic acid amides and the use thereof as medicaments SCHERING AG (DE) 2001-12-05 CN disclosed
US-5877329-A Palladium catalyzed indolization MERCK & CO., INC. (US) 1999-03-02 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-20050197325-A1 Substituted spiro azabicyclics as modulators of chemokine receptor activity CCR3, CCR1, CCR2 ALDH1A1 749/4885ADRA2B 48/4885PTGS1 799/4885
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 ALDH1A1 2260/4885ADRA2B 2097/4885PTGS1 421/4885
US-20050197373-A1 Substituted fused bicyclic amines as modulators of chemokine receptor activity CCR3, CCR1, CCR2 ALDH1A1 2021/4885ADRA2B 79/4885PTGS1 954/4885
US-20040102441-A1 Ortho-substituted anthranilic acid amides and their use as medicaments TEK, VEGFA, ASPH ALDH1A1 1414/4885ADRA2B 742/4885PTGS1 342/4885
US-20040067935-A1 N-substituted heterocyclic amines as modulators of chemokine receptor activity CCL11, ACKR3, CCR7 ALDH1A1 536/4885ADRA2B 135/4885PTGS1 152/4885

“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.