SCHEMBL4398613

SCHEMBL4398613

COC(=O)CSCc1cccc(OCc2ccc(-c3cccc4c3OCO4)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 1/20 0.46
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FFAR1 O14842 1/20 0.40
CHEK1 O14757 1/20 0.39
CHEK2 O96017 1/20 0.39
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
MAPT P10636 4/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.37
CNR1 P21554 1/20 0.37
LMNA P02545 3/20 0.37

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
SCHEMBL7232255 0.91 GYS1 (0.40) GYS1CYP1A2ALDH1A1HPGDCYP3A4
SCHEMBL4398280 0.91 GYS1 (0.49) GYS1CYP1A2ALDH1A1HPGDCYP3A4
SCHEMBL4392684 0.86 ALDH1A1 (0.49) CYP1A2ALDH1A1HPGDCYP3A4CYP2D6
SCHEMBL7232265 0.85 CYP1A2 (0.40) GYS1CYP1A2ALDH1A1HPGDCYP3A4
SCHEMBL4396609 0.80 SMPD1 (0.55) CYP1A2CYP2D6FFAR1TSHRSMN1; SMN2
SCHEMBL4396155 0.77 CYP1A2 (0.48) CYP1A2CYP2D6FFAR1TSHRSMN1; SMN2
SCHEMBL4400261 0.77 ROCK2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9SMN1; SMN2
SCHEMBL4392754 0.76 MAOB (0.52) CYP1A2ALDH1A1HPGDCYP3A4CYP2D6
SCHEMBL4391276 0.75 FFAR1 (0.47) CYP1A2ALDH1A1FFAR1MAOBNPSR1
SCHEMBL4401820 0.74 SMPD1 (0.60) CYP1A2ALDH1A1TSHRLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067109-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2009-12-09 EP claimed
US-7037914-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-02 US claimed
US-20030153579-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2003-08-14 US claimed
EP-1067109-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP claimed
EP-1067109-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2009-12-09 EP disclosed
EP-1067109-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2009-12-09 EP disclosed
US-7211591-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-01 US disclosed
US-7211591-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-01 US disclosed
US-7037914-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-02 US disclosed
US-20050250824-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-11-10 US disclosed
US-20030153579-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2003-08-14 US disclosed
EP-1067109-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 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 (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-20030153579-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient PPARA, PPARG, PPARD GYS1 293/4885CYP1A2 316/4885ALDH1A1 258/4885
US-20050250824-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient PPARA, PPARG, PPARD GYS1 312/4885CYP1A2 322/4885ALDH1A1 403/4885

“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.