Sugi Predict

Sugi Predict / Compounds / SCHEMBL7607306

SCHEMBL7607306

SCHEMBL7607306

N[C@H](CC(=O)OCc1ccccc1)C(=O)N[C@H](COC(=O)C(F)(F)F)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC15A1 P46059 2/20 0.47
▸ CTRB1 P17538 2/20 0.43
▸ CTSL P07711 2/20 0.41
▸ LTA4H P09960 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ABCC3 O15438 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ RARG P13631 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ NR1I3 Q14994 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL7607313 0.87 SLC15A1 (0.49) SLC15A1CTRB1CTSLCYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL7607303 0.87 SLC15A1 (0.49) SLC15A1CTRB1CTSLCYP1A2CYP3A4
SCHEMBL7413897 0.84 SLC15A1 (0.43) SLC15A1CTRB1CTSLLTA4HCYP1A2
SCHEMBL7407340 0.84 CTRB1 (0.44) SLC15A1CTRB1CTSLLTA4H
SCHEMBL2367196 0.79 CTSC (0.45) SLC15A1CTRB1CTSLOPRK1CTSK
SCHEMBL2367378 0.77 PSMB1 (0.41) CTSLLTA4HCTSK
SCHEMBL30375020 0.77 SLC15A1 (0.58) SLC15A1CTSL
SCHEMBL7298200 0.77 SLC15A1 (0.55) SLC15A1CTSLCYP2C9CYP2C19OPRK1
Trifluoroacetic Acid SCHEMBL7413892 0.77 SLC15A1 (0.45) SLC15A1CTSLCYP1A2CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL7608053 0.77 SLC15A1 (0.45) SLC15A1CTSLCYP1A2CYP3A4CYP2D6

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-6495699-B2 ANTIARTHRITIC AGENTS; OSTEOPOROSIS AGOURON PHARMACEUTICALS INC. 2002-12-17 — — US disclosed
US-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use BENDER STEVEN L (US) 2002-02-14 — — US disclosed
US-6306892-B1 ENZYME INHIBITORS HETEROCYCLIC AMIDES AGOURON PHARMACEUTICALS, INC. 2001-10-23 — — US disclosed
US-6174915-B1 FOR TREATING MAMMALIAN DISEASE CONDITION MEDIATED BY METALLOPROTEINASE ACTIVITY AGOURON PHARMACEUTICALS, INC. 2001-01-16 — — US disclosed
US-6008243-A AN ENZYME INHIBITOR FOR PREVENTING THE DEGRADATION AND REMODELING OF CONNECTIVE TISSUES AGOURON PHARMACEUTICALS, INC. (US) 1999-12-28 — — 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-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use MMP9, MMP2, MMP3 SLC15A1 1953/4885CTRB1 203/4885CTSL 73/4885

“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.