SCHEMBL497446

SCHEMBL497446

NC(N)(CCCCCCC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
LMNA P02545 3/20 0.55
NFKB1 P19838 2/20 0.55
PMP22 Q01453 1/20 0.55
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
ALOX15 P16050 2/20 0.50
KMT2A Q03164 2/20 0.50
PLG P00747 1/20 0.50
THRB P10828 1/20 0.50
SLC6A2 P23975 1/20 0.50
RECQL P46063 1/20 0.50
SLC6A3 Q01959 1/20 0.50
GPR84 Q9NQS5 8/20 0.46
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
CYP2D6 P10635 1/20 0.46
PPARG P37231 6/20 0.44
PPARD Q03181 6/20 0.44
PPARA Q07869 6/20 0.44

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
SCHEMBL498122 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL28977817 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL31009783 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL7771205 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
Pimelic Acid SCHEMBL18600626 1.00 TSHR (0.55) TSHRLMNANFKB1PMP22ALDH1A1
Hydrochloric Acid SCHEMBL27405461 0.98 TSHR (0.52) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL27739960 0.98 LMNA (0.52) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL29290 0.98 LMNA (0.52) TSHRLMNANFKB1PMP22ALDH1A1
Ammonia Solution, Strong SCHEMBL28096291 0.95 LMNA (0.50) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL27555394 0.95 LMNA (0.50) TSHRLMNANFKB1PMP22ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190345190-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-11-14 US disclosed
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-17 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
US-9579332-B2 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2017-02-28 US disclosed
US-9556113-B2 Combination uses of dichloroacetate and oxamate, and their prodrugs, for cancer treatment THE SOUTH DAKOTA BOARD OF REGENTS (US) 2017-01-31 US disclosed
US-9457035-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2016-10-04 US disclosed
US-5591851-A ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 1997-01-07 US disclosed
WO-1996026933-A9 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES 1996-11-28 WO disclosed
WO-1996026933-A1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES, INC. (US) 1996-09-06 WO disclosed
WO-1996023801-A2 NOVEL COMPOUNDS AND METHODS FOR MAKING AND USING SAME GILEAD SCIENCES, INC. (US) 1996-08-08 WO disclosed
EP-0719274-A1 METHOD FOR DOSING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 1996-07-03 EP disclosed
EP-0719273-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1996-07-03 EP disclosed
EP-0673388-A1 DOUBLE CHAIN PEPTIDE COMPOUNDS HAVING HEMOREGULATORY ACTIVITY NYCOMED IMAGING AS (NO) 1995-09-27 EP disclosed
WO-1995007920-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1995-03-23 WO disclosed
WO-1995007919-A1 METHOD FOR DOSING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 1995-03-23 WO 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 (5 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-20170088576-A1 ANTIVIRAL COMPOUNDS EIF2AK2, MAVS, ITPA TSHR 4801/4885LMNA 2219/4885NFKB1 1355/4885
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA TSHR 4872/4885LMNA 2426/4885NFKB1 1919/4885
US-20190345190-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA TSHR 4872/4885LMNA 2426/4885NFKB1 1919/4885
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds PIK3CA, TYMP, ITPA TSHR 4872/4885LMNA 2426/4885NFKB1 1919/4885
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA TSHR 4872/4885LMNA 2426/4885NFKB1 1919/4885

“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.