SCHEMBL6474348

SCHEMBL6474348

CCOC(=O)CCn1nc2ccc(C(=O)O)cn2c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.42
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.38
GPR139 Q6DWJ6 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TNF P01375 1/20 0.37
ALPG P10696 1/20 0.37
HTT P42858 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL6474507 0.93 KDM4E (0.41) ALDH1A1LMNAKDM4EHSD17B10TNF
SCHEMBL6474360 0.88 CYP2C19 (0.50) ALDH1A1TSHRPOLBNPC1KMT2A
SCHEMBL3789642 0.79 AKR1B1 (0.39) GPR139KDM4EHSD17B10ALPG
SCHEMBL6473965 0.79 KDM4E (0.39) CYP2C19GPR139KDM4EHSD17B10TNF
SCHEMBL7310513 0.77 KDM4E (0.40) ALDH1A1GPR139KDM4EHSD17B10TNF
SCHEMBL6474857 0.75 ITGB3 (0.43)
SCHEMBL6474544 0.74 CYP2C19 (0.47) ALDH1A1TSHRPOLBNPC1KMT2A
SCHEMBL7301560 0.71 CYP2C19 (0.48) ALDH1A1TSHRPOLBKMT2AMEN1
SCHEMBL7303747 0.71 TNF (0.38) CYP2C19GPR139KDM4EHSD17B10TNF
SCHEMBL3783283 0.68 KDM4C (0.45) ALDH1A1MAPTLMNATSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867208-B2 Vitronectin receptor antagonists, their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 2005-03-15 US disclosed
US-20030027807-A1 Vitronectin receptor antagonists, their preparation and their use GENENTECH, INC. AND HOECHST AKTIENGESELLSCHAFT 2003-02-06 US disclosed
US-6387895-B1 BONE DISORDERS; CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6207663-B1 AS INHIBITORS OF BONE RESORPTION, TUMOR GROWTH, TUMOR METASTASIS, OR INFLAMMATION, OR FOR THE TREATMENT OR PROPHYLAXIS OF CARDIOVASCULAR DISORDERS, NEPHROPATHIES OR RETINOPATHIES HOECHST ATKIENGESELLSCHAFT (DE) 2001-03-27 US disclosed
US-6011045-A Vitronectin receptor antagonists, their preparation and their use HOECHST AKTIENGESELLSCHAFT 2000-01-04 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 (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-20030027807-A1 Vitronectin receptor antagonists, their preparation and their use ADGRF1, ADGRE5, BSG ALDH1A1 3286/4885MAPT 4058/4885LMNA 394/4885

“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.