SCHEMBL5595169

SCHEMBL5595169

CCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2Br)c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.73
▸ CYP2D6 P10635 1/20 0.73
▸ CYP2C9 P11712 1/20 0.73
▸ CYP2C19 P33261 1/20 0.73
▸ KDM4E B2RXH2 1/20 0.70
▸ MAPT P10636 1/20 0.60
▸ CA12 O43570 11/20 0.60
▸ CA1 P00915 11/20 0.60
▸ CA9 Q16790 11/20 0.60
▸ CA2 P00918 10/20 0.60
▸ ALDH1A1 P00352 4/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.55
▸ CXCR1 P25024 1/20 0.52

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
SCHEMBL5595123 0.82 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL5594856 0.80 KDM4E (0.67) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL5605042 0.80 CYP1A2 (0.86) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL5726701 0.78 TDP1 (0.66) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL5724122 0.77 CYP1A2 (0.70) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL6924667 0.75 CXCR1 (0.73) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5594844 0.75 CXCR1 (0.73) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL14593773 0.75 ALDH1A1 (0.63) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL5595010 0.75 HTT (0.62) MAPTCA12CA1CA9CA2
SCHEMBL6824241 0.75 HTT (0.62) MAPTCA12CA1CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809492-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-01-24 — — EP disclosed
EP-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 — — EP disclosed
US-20020128321-A1 IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-09-12 — — US disclosed
US-6262113-B1 HYDROXY- OR MERCAPTO-PHENYLUREAS SMITHKLINE BEECHAM CORPORATION 2001-07-17 — — US disclosed
US-6211373-B1 Phenyl urea antagonists of the IL-8 receptor SMITHKLINE BEECHAM CORPORATION 2001-04-03 — — US disclosed
US-6180675-B1 THERAPY FOR CHEMOKINE SENSITIVE DISEASE; USING A AROMATIC (THIO)UREA COMPOUND SMITHKLINE BEECHAM CORPORATION 2001-01-30 — — US disclosed
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 — — US disclosed
US-5886044-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-03-23 — — US disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 — — EP disclosed
US-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 — — US disclosed
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 — — EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 — — WO disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 — — 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 (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-20020128321-A1 IL-8 receptor antagonists CXCL8, CCR8, IL1RN CYP1A2 2592/4885CYP2D6 2905/4885CYP2C9 3151/4885

“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.

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