SCHEMBL3405218

SCHEMBL3405218

CCOP(=O)(OCC)C(N)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 2/20 0.44
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
PPARD Q03181 1/20 0.40
ALDH1A1 P00352 2/20 0.39
METAP1 P53582 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL282248 0.85 TSHR (0.48) LAP3TSHRPOLBPPARDTDP1
SCHEMBL457918 0.82 LAP3 (0.44) LAP3TSHRPPARDALDH1A1METAP1
SCHEMBL9162193 0.76 TSHR (0.43) LAP3TSHRPOLBPPARDTDP1
SCHEMBL8549163 0.76 TSHR (0.43) LAP3TSHRPOLBPPARDTDP1
SCHEMBL28345422 0.76 ANPEP (0.34) LAP3PPARD
SCHEMBL9237295 0.74 PPARD (0.46) LAP3TSHRPOLBPPARDTDP1
SCHEMBL27268583 0.74 TSHR (0.42) LAP3TSHRPOLBPPARDALDH1A1
SCHEMBL14064086 0.73 TSHR (0.46) TSHRPOLBPPARDALDH1A1TDP1
SCHEMBL18946366 0.73 TSHR (0.46) TSHRPOLBPPARDALDH1A1TDP1
SCHEMBL3175484 0.73 TSHR (0.46) TSHRPOLBPPARDALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311694-A1 Set of Geldanamycin Derivatives and Their Preparation Methods INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-09 US disclosed
EP-2253621-A1 A SET OF GELDANAMYCIN DERIVATIVES AND THEIR PREPARATION METHODS Institute Of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2010-11-24 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-20100311694-A1 Set of Geldanamycin Derivatives and Their Preparation Methods HSP90AA1, HSP90AB1, HSP90B1 LAP3 3597/4885TSHR 4771/4885POLB 2210/4885

“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.