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Sugi Predict / Compounds / SCHEMBL6759875

SCHEMBL6759875

SCHEMBL6759875

CCCCC(C(=O)N[C@@H](CC(=O)O)c1cccc(OC(C)C)c1)n1cc(C)cc(Cc2cccc(Cl)c2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FPR1 P21462 7/20 0.43
▸ KMT2A Q03164 2/20 0.37
▸ FPR2 P25090 4/20 0.36
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ F11 P03951 1/20 0.34
▸ FFAR1 O14842 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GPR88 Q9GZN0 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ PTGER4 P35408 1/20 0.32

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
SCHEMBL4434290 0.93 FPR1 (0.39) FPR1KMT2ACASP1FFAR1GPR88
SCHEMBL4436753 0.92 FPR1 (0.42) FPR1KMT2AFPR2CASP1ALDH1A1
SCHEMBL4436767 0.91 CASP1 (0.39) FPR1KMT2ACASP1GPR88
SCHEMBL4436791 0.90 KMT2A (0.36) FPR1KMT2AFPR2CASP1ALDH1A1
SCHEMBL4426779 0.89 FPR1 (0.37) FPR1KMT2AFPR2CASP1FFAR1
SCHEMBL4435242 0.89 CASP1 (0.37) FPR1FPR2CASP1GPR88
SCHEMBL4434041 0.88 FPR1 (0.35) FPR1KMT2AFPR2CASP1F11
SCHEMBL6759870 0.86 FFAR1 (0.36) FPR1KMT2AFPR2CASP1ALDH1A1
SCHEMBL4426328 0.86 FPR1 (0.38) FPR1KMT2AFPR2CASP1F11
SCHEMBL4435599 0.86 FPR1 (0.37) FPR1KMT2AFPR2CASP1F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723711-B2 VASCULAR CELL ADHESION MOLECULES AND FIBRONECTINS; ASTHMA, MULTIPLE SCLEROSIS, ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CONTACT HYPERSENSITIVITY, CARDIAC ALLOGRAFT REJECTION AND DIABETES TREATMENT TEXAS BIOTECHNOLOGY CORPORATION 2004-04-20 — — US claimed
US-20030199692-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2003-10-23 — — US claimed
EP-1213288-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-06-12 — — EP claimed
US-6723711-B2 VASCULAR CELL ADHESION MOLECULES AND FIBRONECTINS; ASTHMA, MULTIPLE SCLEROSIS, ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CONTACT HYPERSENSITIVITY, CARDIAC ALLOGRAFT REJECTION AND DIABETES TREATMENT TEXAS BIOTECHNOLOGY CORPORATION 2004-04-20 — — US disclosed
US-20030199692-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2003-10-23 — — US disclosed
EP-1213288-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-06-12 — — 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-20030199692-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 FPR1 40/4885KMT2A 4655/4885FPR2 248/4885

“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.