Sugi Predict

Sugi Predict / Compounds / SCHEMBL698996

SCHEMBL698996

SCHEMBL698996

Cc1cccc([C@@H](O)C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ ACP3 P15309 1/20 0.51
▸ BLM P54132 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PARP1 P09874 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B2 P37059 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.40

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
SCHEMBL31407019 1.00 LMNA (0.59) LMNAMAPK1ACP3BLMNPSR1
SCHEMBL698995 1.00 LMNA (0.59) LMNAMAPK1ACP3BLMNPSR1
SCHEMBL2164471 1.00 LMNA (0.59) LMNAMAPK1ACP3BLMNPSR1
SCHEMBL276569 0.85 LMNA (0.73) LMNAMAPK1BLMNPSR1TSHR
SCHEMBL6794371 0.82 PARP1 (0.50) LMNAACP3PARP1ACHE
SCHEMBL11587930 0.82 CES2 (0.67) LMNAACP3PARP1SMN1; SMN2
SCHEMBL28195432 0.82 SRC (0.58) LMNAACP3NPSR1PARP1ACHE
SCHEMBL4619753 0.82 ACP3 (0.53) LMNAACP3NPSR1PARP1ACHE
SCHEMBL27937165 0.81 LMNA (0.51) LMNAMAPK1ACP3PARP1ACHE
SCHEMBL25515020 0.81 ACP3 (0.49) LMNAMAPK1ACP3EPHX1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985572-B2 Modified nitrilases and their use in methods for the production of carboxylic acids BASF SE (DE) 2011-07-26 — — US claimed
EP-1599584-B1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF SE (DE) 2009-07-01 — — EP claimed
US-20060259999-A1 Modified nitrilases and their use in methods for the production of carboxylic acids BASF AKTIENGESELLSCHAFT (DE) 2006-11-16 — — US claimed
EP-1599584-A1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2005-11-30 — — EP claimed
WO-2004076655-A1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2004-09-10 — — WO claimed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 — — US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 — — US disclosed
CN-109689667-B Porous chiral material and use thereof 南开大学 2022-07-12 — — CN disclosed
US-10857517-B2 Porous chiral materials and uses thereof NANKAI UNIVERSITY (CN) 2020-12-08 — — US disclosed
CN-109689667-A Porous chiral material and use thereof 南开大学 2019-04-26 — — CN disclosed
US-8815569-B2 Methods for preserving and/or storing cells having a nitrilase or nitrile hydratase activity BASF SE (DE) 2014-08-26 — — US disclosed
EP-2423211-B1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF KANEKA CORP (JP) 2014-04-16 — — EP disclosed
EP-0816316-A1 PROCESS FOR PRODUCING 1,2-ETHANEDIOL DERIVATIVES NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1998-01-07 — — EP disclosed
WO-1997002284-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE ASTRA AKTIEBOLAG (SE) 1997-01-23 — — WO disclosed
CN-1087906-A 3-(2-acyloxyethoxyphenyl) benzofuran-2-ones as stabilisers CIBA GEIGY AG (CH) 1994-06-15 — — CN disclosed
EP-0023080-B1 SUBSTITUTED 2,7-DIOXO-2,7-DIHYDROBENZO(1:2-B; 5,6-B1)DIFURAN OR DIPYRROLE DYESTUFFS, PROCESSES FOR THEIR PREPARATION AND THEIR USE FOR THE COLOURATION OF AROMATIC POLYESTER TEXTILE MATERIALS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-07-27 — — EP disclosed
US-4339602-A Process of preparation of racemic hydroxyarylglycolic acids and novel products resulting therefrom SOCIETE FRANCAISE HOECHST (FR) 1982-07-13 — — US disclosed
US-4333877-A Substituted 2,7-dioxo-2,7-dihydrobenzo[1:2-b; 5:6-b1 ]difuran or -dipyrrole dyestuffs, their preparation and their use IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-06-08 — — US disclosed
EP-0023080-A1 Substituted 2,7-dioxo-2,7-dihydrobenzo(1:2-b; 5,6-b1)difuran or dipyrrole dyestuffs, processes for their preparation and their use for the colouration of aromatic polyester textile materials IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-28 — — EP disclosed
US-4218380-A OXIDATION OF THE A-HYDROXY-ARYLACETIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1980-08-19 — — 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 (2 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-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 LMNA 4199/4885MAPK1 1813/4885ACP3 846/4885
US-10857517-B2 Porous chiral materials and uses thereof ANXA7, XDH, OPRM1 LMNA 219/4885MAPK1 1200/4885ACP3 2224/4885

“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.