Sugi Predict

Sugi Predict / Compounds / SCHEMBL308733

SCHEMBL308733

SCHEMBL308733

NC(=O)c1ccccc1C(=O)NCCCBr

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.57
▸ TSHR P16473 2/20 0.57
▸ NLRP3 Q96P20 1/20 0.47
▸ HPGD P15428 3/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ NAAA Q02083 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ NLRP1 Q9C000 1/20 0.45
▸ HCRTR1 O43613 1/20 0.45

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
SCHEMBL30415135 1.00 HTT (0.57) HTTTSHRNLRP3HPGDALOX5
SCHEMBL2778140 0.95 HTT (0.56) HTTTSHRNLRP3HPGDALOX5
SCHEMBL16487383 0.94 TSHR (0.54) HTTTSHRNLRP3HPGDALOX5
SCHEMBL16486722 0.94 TSHR (0.54) HTTTSHRNLRP3HPGDALOX5
SCHEMBL2080518 0.90 TSHR (0.51) HTTTSHRNLRP3HPGDALDH1A1
Bromide SCHEMBL8987442 0.89 HTT (0.47) HTTTSHRNLRP3HPGDALOX5
SCHEMBL6903284 0.86 TSHR (0.58) HTTTSHRHPGDNPC1ALDH1A1
SCHEMBL7255678 0.85 HTT (0.62) HTTTSHRHPGDALOX5NAAA
SCHEMBL9518458 0.83 HTT (0.57) HTTTSHRHPGDALOX5NAAA
SCHEMBL8654054 0.83 HTT (0.57) HTTTSHRNLRP3HPGDALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600725-B2 Selective GRP94 inhibitors and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2026-04-14 — — US disclosed
EP-3674307-B1 MACROCYCLE CONTAINING AMINOPYRAZOLE AND PYRIMIDINE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2023-06-07 — — EP disclosed
CN-116120302-A 2, 3-disubstituted oxazolidine 4-ketone compound and preparation and application thereof 上海鸿恒生物医药科技有限公司 2023-05-16 — — CN disclosed
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-04-20 — — US disclosed
US-11267816-B2 Selective Grp94 inhibitors and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-03-08 — — US disclosed
CN-113735881-A Macrocyclic compounds containing aminopyrazolopyrimidines, pharmaceutical compositions and uses thereof 正大天晴药业集团股份有限公司 2021-12-03 — — CN disclosed
CN-110945000-B Macrocyclic compounds containing aminopyrazolopyrimidines, pharmaceutical compositions and uses thereof 正大天晴药业集团股份有限公司 2021-09-03 — — CN disclosed
US-20200291042-A1 MACROCYCLE CONTAINING AMINOPYRAZOLE AND PYRIMIDINE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. (CN) 2020-09-17 — — US disclosed
CN-105899503-B Selective GRP94 inhibitors and uses thereof 纪念斯隆-凯特琳癌症中心 2020-08-18 — — CN disclosed
EP-3674307-A1 MACROCYCLE CONTAINING AMINOPYRAZOLE AND PYRIMIDINE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-07-01 — — EP disclosed
WO-2000032239-A9 HAPTEN-CARRIER CONJUGATES FOR TREATING AND PREVENTING NICOTINE ADDICTION NABI (US) 2002-08-22 — — WO disclosed
US-20020004208-A1 Generating nicotine antibodies in situ NABI BIOPHARMACEUTICALS 2002-01-10 — — US disclosed
EP-1135166-A1 HAPTEN-CARRIER CONJUGATES FOR TREATING AND PREVENTING NICOTINE ADDICTION NABI (US) 2001-09-26 — — EP disclosed
US-6232082-B1 VACCINES NABI 2001-05-15 — — US disclosed
US-6075012-A TRANSFECTION LIFE TECHNOLOGIES, INC. (US) 2000-06-13 — — US disclosed
WO-2000032239-A1 HAPTEN-CARRIER CONJUGATES FOR TREATING AND PREVENTING NICOTINE ADDICTION NABI (US) 2000-06-08 — — WO disclosed
CN-1033273-C New erythromycin derivatives, their preparation process and their use as medicaments ROUSSEL UCLAF (FR) 1996-11-13 — — CN disclosed
EP-0356128-B1 3-(AMINOPROPYL)METHYL PHOSPHINIC ACID AS A THERAPEUTIC AGENT SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-07-01 — — EP disclosed
WO-1990001936-A1 3-(AMINOPROPYL)METHYL PHOSPHINIC ACID AS A THERAPEUTIC AGENT AND INTERMEDIATES IN ITS SYNTHESIS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-03-08 — — WO disclosed
EP-0356128-A2 3-(Aminopropyl)methyl phosphinic acid as a therapeutic agent SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-02-28 — — 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 (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-20020004208-A1 Generating nicotine antibodies in situ CHRNG, CHRNB1, CHRNA10 HTT 202/4885TSHR 2763/4885NLRP3 3933/4885
US-20200291042-A1 MACROCYCLE CONTAINING AMINOPYRAZOLE AND PYRIMIDINE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF MUSK, TK1, TYMP HTT 3480/4885TSHR 321/4885NLRP3 2945/4885
US-11267816-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 HTT 2948/4885TSHR 3467/4885NLRP3 3501/4885
US-12600725-B2 Selective GRP94 inhibitors and uses thereof GRPR, HSPB1, HSP90AB2P HTT 3245/4885TSHR 454/4885NLRP3 3792/4885
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 HTT 2948/4885TSHR 3467/4885NLRP3 3501/4885

“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.