Sugi Predict

Sugi Predict / Compounds / SCHEMBL972443

SCHEMBL972443

SCHEMBL972443

CCc1ccc(Cc2[c]cccc2)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.44
▸ ALOX5 P09917 2/20 0.39
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ IDH1 O75874 1/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL8502592 0.86 NPC1 (0.44) ALOX15HTTNPC1MAPK1RAB9A
SCHEMBL50716 0.78 TRPA1 (0.64) TRPA1ALOX5MAPTMEN1KMT2A
SCHEMBL1551923 0.77 HSPA5 (0.58) KDM4EHSD17B10KEAP1HSPA5
SCHEMBL27490282 0.77 TP53 (0.44) CYP1A2CYP2A6MAPTALDH1A1KDM4E
SCHEMBL8791380 0.76 IDH1 (0.56) TRPA1ALOX5CYP1A2MAPTALDH1A1
SCHEMBL4599279 0.73 GABRA1 (0.57) HSPA5
SCHEMBL593741 0.72 TRPA1 (0.67) TRPA1CYP1A2CYP2A6MAPTALDH1A1
SCHEMBL12806929 0.70 TRPA1 (0.53) TRPA1ALOX5MAPTKEAP1MEN1
SCHEMBL8791282 0.70 ESR1 (0.50) ALOX5CYP1A2MAPTALDH1A1KDM4E
SCHEMBL7881696 0.69 P2RX7 (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010041794-A1 Nucleotide analogs GILEAD SCIENCES, INC. 2001-11-15 — — US claimed
US-5798340-A ANTITUMOR/ANTINEOPLASTIC ACTIITY, VIRICIDES; BROAD SPECTRUM MICROBIOCIDES; THIOPHOSPHONATES HYDROLYZABLE IN VIVO; ORAL ADMINISTRATION; BIOAVAILABILITY; NONTOXIC; POTENCY GILEAD SCIENCES, INC. (US) 1998-08-25 — — US claimed
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-9957225-B2 Treatment of friedreich's ataxia using histone deacetylase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-01 — — 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-20170088576-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-03-30 — — US disclosed
US-9579332-B2 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2017-02-28 — — US disclosed
US-9457035-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2016-10-04 — — US disclosed
EP-3006424-A1 HISTONE DEACETYLASE INHIBITORS AS THERAPEUTICS FOR NEUROLOGICAL DISEASES The Scripps Research Institute (US) 2016-04-13 — — EP disclosed
EP-0759917-A1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES, INC. (US) 1997-03-05 — — EP disclosed
WO-1996026933-A9 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES — 1996-11-28 — — WO disclosed
WO-1996033200-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY ÚSTAV ORGANICKÉ CHEMIE A BIOCHEMIE AKADEMIE VED C^¿ESKÉ REPUBLIKY (CZ) 1996-10-24 — — 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
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

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-20170088576-A1 ANTIVIRAL COMPOUNDS EIF2AK2, MAVS, ITPA TRPA1 4658/4885ALOX5 3726/4885CYP1A2 4700/4885
US-20010041794-A1 Nucleotide analogs PNP, NUDT1, TYMP TRPA1 4879/4885ALOX5 2085/4885CYP1A2 4728/4885
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA TRPA1 4846/4885ALOX5 3172/4885CYP1A2 4641/4885
US-20190345190-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA TRPA1 4846/4885ALOX5 3172/4885CYP1A2 4641/4885
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds PIK3CA, TYMP, ITPA TRPA1 4846/4885ALOX5 3172/4885CYP1A2 4641/4885
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA TRPA1 4846/4885ALOX5 3172/4885CYP1A2 4641/4885

“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.