Sugi Predict

Sugi Predict / Compounds / SCHEMBL955096

SCHEMBL955096

SCHEMBL955096

N#CC(=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.56
▸ CES2 O00748 1/20 0.56
▸ AKR1B1 P15121 1/20 0.56
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ FNTA P49354 1/20 0.47
▸ FNTB P49356 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CTBP2 P56545 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ MCL1 Q07820 1/20 0.44
▸ PAM P19021 2/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TSHR P16473 2/20 0.43
▸ ABCC4 O15439 1/20 0.43

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
SCHEMBL13799024 0.80 CA2 (0.56) MEN1KMT2AFNTAFNTBALDH1A1
SCHEMBL5578204 0.79 CES1 (0.58) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL10172435 0.78 GAA (0.48) KMT2AALDH1A1CTBP2FFAR1LMNA
SCHEMBL11470932 0.78 CTBP2 (0.47) MEN1KMT2AALDH1A1L3MBTL1CTBP2
SCHEMBL11477350 0.78 KEAP1 (0.59) KMT2AHDAC8HDAC6ALDH1A1MAPK1
SCHEMBL10445460 0.78 NPC1 (0.47) MEN1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL3225657 0.78 CYP19A1 (0.44) HDAC6ALDH1A1GAA
SCHEMBL7874216 0.77 CES1 (0.56) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL29062440 0.77 CES1 (0.56) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL9794025 0.77 CES1 (0.56) CES1CES2AKR1B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4159267-A Novel silyl ester azetidine-2-sulfenate intermediates and process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1979-06-26 — — US claimed
CN-115725761-A Core gene design-based detection primer for ralstonia solanacearum and application thereof 中国农业科学院农业资源与农业区划研究所 2023-03-03 — — CN disclosed
US-20230023238-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2023-01-26 — — US disclosed
CN-109879841-B (Z) -3-imino-1-propenol compound, preparation method and application thereof 江苏省农药研究所股份有限公司 2021-05-18 — — CN disclosed
CN-107531715-B RSV antiviral pyrazolo-and triazolo-pyrimidine compounds 爱尔兰詹森科学公司 2021-03-30 — — CN disclosed
US-9166226-B2 Positive electrode for lithium rechargeable battery and lithium rechargeable battery including the same SAMSUNG SDI CO., LTD. (KR) 2015-10-20 — — US disclosed
US-20130171522-A1 POSITIVE ELECTRODE FOR LITHIUM RECHARGEABLE BATTERY AND LITHIUM RECHARGEABLE BATTERY INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2013-07-04 — — US disclosed
US-20120184523-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2012-07-19 — — US disclosed
US-8178532-B2 c-Met modulators and method of use EXELIXIS, INC. (US) 2012-05-15 — — US disclosed
US-20120022065-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2012-01-26 — — US disclosed
US-4228082-A FUNGICIDES OR CHEMICAL INTERMIDIATES FOR 1,2,4-TRIAZINONE HERBICIDES DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1980-10-14 — — US disclosed
US-4224226-A FUNGICIDES BY CONDENSING AN ACYL CYANIDE WITH EITHER A TERTIARY ALCOHOL OR AN ALKENE DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1980-09-23 — — US disclosed
US-4172832-A Mercaptoalcohols and process for their manufacture CIBA-GEIGY CORPORATION (US) 1979-10-30 — — US disclosed
US-4159267-A Novel silyl ester azetidine-2-sulfenate intermediates and process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1979-06-26 — — US disclosed
US-4147864-A Process for the manufacture of 7β-amino-3-cephem-3-ol-4 carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1979-04-03 — — US disclosed
US-4110533-A PROCESS FOR THE MANUFACTURE OF ENOL DERIVATIVES CIBA-GEIGY CORPORATION (US) 1978-08-29 — — US disclosed
US-4013650-A PROCESS FOR THE MANUFACTURE OF 3-METHYLENE-CEPHAM COMPOUNDS CIBA-GEIGY CORPORATION (US) 1977-03-22 — — US disclosed
US-3989695-A 7β-Amino-cepham-3-ol-4-carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1976-11-02 — — US disclosed
US-3944545-A Process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1976-03-16 — — US disclosed
US-3932465-A ANTIBIOTIC CIBA-GEIGY CORPORATION (US) 1976-01-13 — — 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 (3 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-20120022065-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 CES1 2247/4885CES2 1679/4885AKR1B1 2462/4885
US-20230023238-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 CES1 1218/4885CES2 993/4885AKR1B1 1356/4885
US-20120184523-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 CES1 2247/4885CES2 1679/4885AKR1B1 2462/4885

“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.