SCHEMBL3874444

SCHEMBL3874444

O=P(O)(CCc1ccccc1)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.57
ACP3 P15309 5/20 0.50
TSHR P16473 3/20 0.50
POLB P06746 1/20 0.44
ANPEP P15144 3/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ERAP2 Q6P179 2/20 0.44
ALDH1A1 P00352 1/20 0.43
CETP P11597 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
CA9 Q16790 1/20 0.42
S1PR2 O95136 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42

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
SCHEMBL1764169 0.83 ACP3 (0.47) CYP2D6ACP3ANPEP
SCHEMBL5053192 0.83 CYP2D6 (0.53) CYP2D6ACP3TSHRPOLBANPEP
SCHEMBL8190036 0.78 TSHR (0.50) CYP2D6TSHRCETPCA12CA1
SCHEMBL10771236 0.78 CETP (0.48) POLBALDH1A1CETPMAPK1
SCHEMBL8397204 0.75 TSHR (0.56) CYP2D6ACP3TSHRPOLBANPEP
SCHEMBL5057970 0.74 CYP2D6 (0.47) CYP2D6ACP3TSHRCA12CA1
SCHEMBL5059860 0.73 GGH (0.62)
SCHEMBL5053354 0.73 TSHR (0.46) CYP2D6ACP3TSHRCETPS1PR2
SCHEMBL6030731 0.72 TSHR (0.88) CYP2D6ACP3TSHRPOLBANPEP
SCHEMBL1101314 0.72 TSHR (0.67) CYP2D6ACP3TSHRPOLBANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521469-B2 Phosphinic amino acid compounds LES LABORATOIRES SERVIER (FR) 2009-04-21 US disclosed
US-20080153890-A1 Phosphinic Amino Acid Compounds LES LABORATOIRES SERVER (FR) 2008-06-26 US disclosed
US-5500414-A TREATMENT OF PERIODONTAL DISESASE, INHIBITION OF ZINC METALLOPROTEASES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1996-03-19 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-20080153890-A1 Phosphinic Amino Acid Compounds NPR1, NPPA, AADAT CYP2D6 2834/4885ACP3 673/4885TSHR 1322/4885

“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.