Sugi Predict

Sugi Predict / Compounds / SCHEMBL4331720

SCHEMBL4331720

SCHEMBL4331720

CC(C)OC(Cc1cccc(NC(=O)OCCc2cccc(Cl)c2)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ MGLL Q99685 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ PPARD Q03181 1/20 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
SCHEMBL4334315 0.91 MEN1 (0.55) MAPK1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4338993 0.89 MGLL (0.45) MAPK1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4339117 0.89 MGLL (0.54) MAPK1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4328100 0.86 PPARG (0.44) MAPK1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4328098 0.86 PPARG (0.44) MAPK1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4328950 0.84 MAPT (0.48) MAPK1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4341714 0.84 MGLL (0.46) MAPK1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4332402 0.84 MGLL (0.50) MGLL
SCHEMBL4341784 0.83 TP53 (0.49) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL4334521 0.83 MEN1 (0.48) MAPK1MAPTSMN1; SMN2MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100522944-C Carboxylic acid derivatives and salts thereof EISAI CO LTD (JP) 2009-08-05 — — CN disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 — — US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 — — US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 — — US disclosed
CN-1503774-A Carboxylic acid derivatives and salts thereof ������������ʽ���� 2004-06-09 — — CN disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 — — US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 — — 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 (1 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 MAPK1 698/4885MAPT 4654/4885SMN1; SMN2 3054/4885

“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.