SCHEMBL6340425

SCHEMBL6340425

O=[N+]([O-])c1ccccc1CCC(O)=S

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
TSHR P16473 1/20 0.55
HPGD P15428 1/20 0.50
SIGMAR1 Q99720 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
RAB9A P51151 3/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 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
SCHEMBL6349023 1.00 ALDH1A1 (0.55) ALDH1A1TSHRHPGDSIGMAR1L3MBTL1
SCHEMBL10970697 0.84 ALDH1A1 (0.56) ALDH1A1TSHRHPGDL3MBTL1KMT2A
SCHEMBL6002942 0.84 ALDH1A1 (0.56) ALDH1A1TSHRHPGDL3MBTL1KMT2A
SCHEMBL8872043 0.84 ALDH1A1 (0.56) ALDH1A1TSHRHPGDL3MBTL1KMT2A
SCHEMBL1573514 0.84 ALDH1A1 (0.56) ALDH1A1TSHRHPGDL3MBTL1KMT2A
SCHEMBL27992608 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHPGDL3MBTL1KMT2A
SCHEMBL3202573 0.80 ALDH1A1 (0.72) ALDH1A1TSHRHPGDSIGMAR1L3MBTL1
SCHEMBL28337088 0.79 ALDH1A1 (0.55) ALDH1A1TSHRHPGDL3MBTL1KMT2A
SCHEMBL6340427 0.79 ALDH1A1 (0.55) ALDH1A1TSHRHPGDL3MBTL1KMT2A
SCHEMBL151684 0.79 ALDH1A1 (0.55) ALDH1A1TSHRHPGDL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026908-A1 Carboxylic acid derivatives, processes for the preparation thereof and pharmaceutical aggents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-02-03 US disclosed
US-6835752-B2 Can bind to Prostaglandin E2 receptors, especially, EP3 receptor and/or EP4 receptor and show antagonizing activity, and may be useful for prevention and/or treatment of disease, for example, pain, allergy, Alzheimer's disease, cancer ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-28 US disclosed
US-20040235825-A1 Carboxylic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2004-11-25 US disclosed
US-20030216381-A1 Carboxylic acid derivatives, process for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2003-11-20 US disclosed
EP-1312601-A1 CARBOXYLIC ACID DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-21 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 (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-20050026908-A1 Carboxylic acid derivatives, processes for the preparation thereof and pharmaceutical aggents comprising the same as active ingredient PTGER4, PTGER3, LTB4R ALDH1A1 399/4885TSHR 2539/4885HPGD 195/4885
US-20040235825-A1 Carboxylic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient PTGER4, PTGER1, LTB4R ALDH1A1 224/4885TSHR 2511/4885HPGD 128/4885
US-20030216381-A1 Carboxylic acid derivatives, process for producing the same and drugs containing the same as the active ingredient PTGER4, PTGER1, PTGER2 ALDH1A1 212/4885TSHR 2553/4885HPGD 162/4885

“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.