SCHEMBL4645762

SCHEMBL4645762

CCOC(=S)Sc1cc(C)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ PKM P14618 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HPGD P15428 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ ALOX12 P18054 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33

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
SCHEMBL10104754 0.79 ALDH1A1 (0.44) MAPTSMN1; SMN2TDP1KDM4EPKM
SCHEMBL29696988 0.77 MAPT (0.37) MAPTSMN1; SMN2TDP1KDM4EPKM
SCHEMBL9447234 0.76 SMN1; SMN2 (0.36) MAPTSMN1; SMN2TDP1KDM4EPKM
SCHEMBL12565531 0.76 ALDH1A1 (0.45) MAPTSMN1; SMN2TDP1KDM4ECYP1A2
SCHEMBL3440574 0.75 L3MBTL1 (0.38) MAPTSMN1; SMN2KDM4EPKMHPGD
SCHEMBL31358128 0.75 PKM (0.35) MAPTSMN1; SMN2TDP1KDM4EPKM
SCHEMBL22816343 0.72 ALDH1A1 (0.35) MAPTSMN1; SMN2TDP1KDM4EPKM
SCHEMBL8386939 0.70 CACNA1C (0.43) MAPTSMN1; SMN2TDP1KMT2AMEN1
SCHEMBL28551513 0.69 ALOX15 (0.45) MAPTSMN1; SMN2TDP1CYP1A2HPGD
SCHEMBL22632035 0.69 ALDH1A1 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1298130-B1 3-HYDROXYMETHYLBENZO B THIOPHENE DERIVATIVES AND PROCESS FOR THEIR PREPARATION TEIJIN PHARMA LTD (JP) 2008-08-13 — — EP disclosed
US-6774245-B2 SELECTIVE HYDROGENATION OF 7-SUBSTITUTED-3-HYDROXYMETHYL-BENZO(B)THIOPHENE DERIVATIVE; CYCLIZATION, SULFIDING TEIJIN LIMITED (JP) 2004-08-10 — — US disclosed
US-20030191325-A1 3-Hydroxymethylbenzo[b]thiophene derivatives and process for their preparation TEIJIN LIMITED (JP) 2003-10-09 — — US disclosed
EP-1298130-A1 3-HYDROXYMETHYLBENZO B THIOPHENE DERIVATIVES AND PROCESS FOR THEIR PREPARATION TEIJIN LIMITED (JP) 2003-04-02 — — 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-20030191325-A1 3-Hydroxymethylbenzo[b]thiophene derivatives and process for their preparation TST, SULT1E1, CYP4B1 MAPT 3203/4885SMN1; SMN2 4363/4885TDP1 3336/4885

“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.

Send feedback