SCHEMBL497584

SCHEMBL497584

N[C@H](C(=O)O)C(O)C(O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.52
SLCO1B1 Q9Y6L6 1/20 0.52
TSHR P16473 2/20 0.50
SLC7A5 Q01650 1/20 0.46
CYP2C9 P11712 2/20 0.44
PDE4A P27815 1/20 0.44
SLC1A3 P43003 3/20 0.39
SLC1A2 P43004 3/20 0.39
SLC1A1 P43005 3/20 0.39
PTGS1 P23219 2/20 0.33
TP53 P04637 1/20 0.33
NR1I2 O75469 1/20 0.33
ADRA1A P35348 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC7A11 Q9UPY5 1/20 0.32
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL1374284 1.00 USP2 (0.52) USP2SLCO1B1TSHRSLC7A5CYP2C9
SCHEMBL5324417 0.83 USP2 (0.48) USP2SLCO1B1TSHRSLC7A5CYP2C9
SCHEMBL5580345 0.83 USP2 (0.48) USP2SLCO1B1TSHRSLC7A5CYP2C9
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL336363 0.81 TSHR (0.56) USP2SLCO1B1TSHRSLC7A5CYP2C9
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL2367279 0.81 TSHR (0.56) USP2SLCO1B1TSHRSLC7A5CYP2C9
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL13517377 0.81 TSHR (0.56) USP2SLCO1B1TSHRSLC7A5CYP2C9
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL336361 0.81 TSHR (0.56) USP2SLCO1B1TSHRSLC7A5CYP2C9
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL12648656 0.81 TSHR (0.56) USP2SLCO1B1TSHRSLC7A5CYP2C9
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL1130719 0.81 TSHR (0.56) USP2SLCO1B1TSHRSLC7A5CYP2C9
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL2553076 0.81 TSHR (0.56) USP2SLCO1B1TSHRSLC7A5CYP2C9

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 264 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9101662-B2 Compositions with modulating agents FOAMIX PHARMACEUTICALS LTD. (IL) 2015-08-11 US claimed
US-8795693-B2 Compositions with modulating agents FOAMIX LTD. (IL) 2014-08-05 US claimed
EP-2097065-A2 FOAMABLE WATERLESS COMPOSITIONS WITH MODULATING AGENTS Foamix Ltd. (IL) 2009-09-09 EP claimed
WO-2008152444-A2 FOAMABLE WATERLESS COMPOSITIONS WITH MODULATING AGENTS FOAMIX LTD. (US) 2008-12-18 WO claimed
US-20080206159-A1 Drug mixture contains solvents, nonionic surfactants, gelling agent, therapeutic active agent, liquefied or compressed gas propellant; pressurized dispenser; treating skin diseases, dermal and mucosal delivery; stable and non-irritating emulsions FOAMIX LTD. (IL) 2008-08-28 US claimed
US-4363815-A Alpha hydroxyacids, alpha ketoacids and their use in treating skin conditions YU RUEY J 1982-12-14 US claimed
US-20190029941-A1 RETINOID DOUBLE CONJUGATE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS FOR TREATING OF SKIN CONDITIONS Dermaforce Holdings, LLC 2019-01-31 US disclosed
US-10123960-B2 Methods for treating of skin conditions with retinoid double conjugate compounds PCR TECHNOLOGY HOLDINGS, LC (US) 2018-11-13 US disclosed
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-07-27 US disclosed
US-9629789-B2 Rosacea treatments using polymetal complexes OBAGI MEDICAL PRODUCTS, INC. (US) 2017-04-25 US disclosed
US-20170088576-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-03-30 US disclosed
US-9593138-B2 Nitrile-containing enzyme inhibitors and ruthenium complexes thereof WAYNE STATE UNIVERSITY (US) 2017-03-14 US disclosed
WO-1996026933-A1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES, INC. (US) 1996-09-06 WO disclosed
WO-1996025917-A1 SKIN CARE COMPOSITION BAUSCH & LOMB INCORPORATED (US) 1996-08-29 WO disclosed
EP-0719274-A1 METHOD FOR DOSING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 1996-07-03 EP disclosed
WO-1995007919-A1 METHOD FOR DOSING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 1995-03-23 WO disclosed
EP-0308983-A2 NMR imaging with Mn(II) coordination compositions SALUTAR, INC. (US) 1989-03-29 EP disclosed
US-4363815-A Alpha hydroxyacids, alpha ketoacids and their use in treating skin conditions YU RUEY J 1982-12-14 US disclosed
US-3957760-A AMINO ACID DERIVATIVES E. R. SQUIBB & SONS, INC. (US) 1976-05-18 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 (6 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-10123960-B2 Methods for treating of skin conditions with retinoid double conjugate compounds RARA, LRAT, RARG USP2 2153/4885SLCO1B1 1502/4885TSHR 1593/4885
US-20170088576-A1 ANTIVIRAL COMPOUNDS EIF2AK2, MAVS, ITPA USP2 3564/4885SLCO1B1 1945/4885TSHR 4801/4885
US-20080206159-A1 Drug mixture contains solvents, nonionic surfactants, gelling agent, therapeutic active agent, liquefied or compressed gas propellant; pressurized dispenser; treating skin diseases, dermal and mucosal delivery; stable and non-irritating emulsions CUTA, SLTM, SMO USP2 3504/4885SLCO1B1 1407/4885TSHR 4100/4885
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds PIK3CA, TYMP, ITPA USP2 4430/4885SLCO1B1 1230/4885TSHR 4872/4885
US-20190029941-A1 RETINOID DOUBLE CONJUGATE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS FOR TREATING OF SKIN CONDITIONS RARA, RARG, RXRA USP2 2561/4885SLCO1B1 3425/4885TSHR 1060/4885
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA USP2 4430/4885SLCO1B1 1230/4885TSHR 4872/4885

“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.