SCHEMBL3862229

SCHEMBL3862229

NP(=O)(O)CCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
POLB P06746 1/20 0.58
CYP2D6 P10635 1/20 0.55
ANPEP P15144 4/20 0.53
ERAP1 Q9NZ08 2/20 0.53
ERAP2 Q6P179 2/20 0.53
CETP P11597 1/20 0.51
CFTR P13569 1/20 0.50
S1PR2 O95136 2/20 0.47
S1PR4 O95977 2/20 0.47
S1PR1 P21453 2/20 0.47
S1PR3 Q99500 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
CA9 Q16790 1/20 0.47
ACP3 P15309 1/20 0.47

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
SCHEMBL8725921 1.00 TSHR (0.62) TSHRPOLBCYP2D6ANPEPERAP1
SCHEMBL6030731 0.82 TSHR (0.88) TSHRPOLBCYP2D6ANPEPERAP1
SCHEMBL29619605 0.82 TSHR (0.55) TSHRPOLBCYP2D6ANPEPERAP1
SCHEMBL1101314 0.82 TSHR (0.67) TSHRPOLBCYP2D6ANPEPERAP1
SCHEMBL2517900 0.80 TSHR (0.84) TSHRPOLBCYP2D6ANPEPERAP1
SCHEMBL28543472 0.80 TSHR (0.64) TSHRPOLBCYP2D6ANPEPERAP1
Phosphoric Acid SCHEMBL412030 0.79 TSHR (0.61) TSHRPOLBCYP2D6ANPEPERAP1
SCHEMBL11775231 0.78 TSHR (0.62) TSHRPOLBCYP2D6ANPEPERAP1
SCHEMBL20626773 0.78 TSHR (0.62) TSHRPOLBCYP2D6ANPEPERAP1
SCHEMBL28103039 0.78 TSHR (0.62) TSHRPOLBCYP2D6ANPEPERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2772088-B2 1998-07-02 JP claimed
EP-0413762-A4 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES 1992-01-15 EP claimed
EP-0413762-A1 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES IGEN, INCORPORATED (US) 1991-02-27 EP claimed
WO-1989010961-A1 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES IGEN, INC. (US) 1989-11-16 WO claimed
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
EP-0361341-A2 Therapeutics for aids based on inhibitors of HIV protease MILES INC. (US) 1990-04-04 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-20080153890-A1 Phosphinic Amino Acid Compounds NPR1, NPPA, AADAT TSHR 1322/4885POLB 2560/4885CYP2D6 2834/4885

“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.