SCHEMBL18583602

SCHEMBL18583602

CCOC(=O)[C@H](C)N[P@](C)(=O)Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 9/20 0.58
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ELANE P08246 1/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL18067134 1.00 BTN3A1 (0.58) BTN3A1LMNATDP1POLBMEN1
SCHEMBL12746449 1.00 BTN3A1 (0.58) BTN3A1LMNATDP1POLBMEN1
SCHEMBL13921731 1.00 BTN3A1 (0.58) BTN3A1LMNATDP1POLBMEN1
SCHEMBL15765587 0.89 BTN3A1 (0.47) BTN3A1LMNAMEN1KMT2AELANE
SCHEMBL19986758 0.89 BTN3A1 (0.47) BTN3A1LMNAMEN1KMT2AELANE
SCHEMBL16015978 0.88 BTN3A1 (0.60) BTN3A1LMNATDP1POLBMEN1
SCHEMBL15765628 0.87 BTN3A1 (0.48) BTN3A1LMNAELANEHPGDALDH1A1
SCHEMBL14643286 0.87 BTN3A1 (0.54) BTN3A1LMNAMEN1KMT2ANPSR1
SCHEMBL20959996 0.87 BTN3A1 (0.54) BTN3A1LMNAMEN1KMT2ANPSR1
SCHEMBL13656424 0.87 BTN3A1 (0.54) BTN3A1LMNAMEN1KMT2ANPSR1

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-9676797-B2 Anti-viral compounds ABBVIE INC. (US) 2017-06-13 US disclosed
US-20170057981-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-03-02 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 (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-20170057981-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS BTN3A1 3253/4885LMNA 3478/4885TDP1 3246/4885

“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.