SCHEMBL2471899

SCHEMBL2471899

COC(=O)c1cc(Br)ccc1OC(=S)N(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
NCEH1 Q6PIU2 3/20 0.45
NR4A2 P43354 1/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
HTT P42858 2/20 0.40
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL2471344 0.90 NR4A2 (0.43) HSD17B10NCEH1NR4A2ALDH1A1GAA
SCHEMBL13159057 0.85 CYP46A1 (0.43) HSD17B10NR4A2ALDH1A1MAPTNPSR1
SCHEMBL3493073 0.85 PTGDR2 (0.54) HSD17B10NCEH1ALDH1A1MAPTCYP2C9
SCHEMBL13159046 0.84 KMT2A (0.48) NR4A2ALDH1A1MAPTCYP2C19NPSR1
SCHEMBL20803212 0.84 HSD17B10 (0.37) HSD17B10NCEH1ALDH1A1MAPTKMT2A
SCHEMBL31363216 0.84 HSD17B10 (0.37) HSD17B10NCEH1ALDH1A1MAPTKMT2A
SCHEMBL9857892 0.84 MAOA (0.43) HSD17B10ALDH1A1GAAMAPTKMT2A
SCHEMBL9217561 0.84 KDM4E (0.49) HSD17B10NR4A2ALDH1A1GAAMAPT
SCHEMBL11171592 0.83 ALDH1A1 (0.47) HSD17B10ALDH1A1GAAMAPTKMT2A
SCHEMBL7759388 0.80 SLC6A3 (0.59) HSD17B10ALDH1A1GAAMAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370422-B1 THIOCHROMENE DERIVATIVES AS HIF HYDROXYLASE INHIBITORS FIBROGEN INC (US) 2019-06-05 EP disclosed
US-9149476-B2 Thiochromene derivatives as HIF hydroxylase inhibitors FIBROGEN, INC. (US) 2015-10-06 US disclosed
US-20150182528-A1 THIOCHROMENE DERIVATIVES AS HIF HYDROXYLASE INHIBITORS FIBROGEN, INC. 2015-07-02 US disclosed
US-8927591-B2 Thiochromene derivatives as HIF hydroxylase inhibitors FIBROGEN, INC. (US) 2015-01-06 US disclosed
US-20110305776-A1 THIOCHROMENE DERIVATIVES AS HIF HYDROXYLASE INHIBITORS FIBROGEN, INC. (US) 2011-12-15 US disclosed
EP-2370422-A1 THIOCHROMENE DERIVATIVES AS HIP HYDROXYLASE INHIBITORS Fibrogen, Inc. (US) 2011-10-05 EP disclosed
WO-2010056767-A1 THIOCHROMENE DERIVATIVES AS HIP HYDROXYLASE INHIBITORS FIBROGEN, INC. (US) 2010-05-20 WO disclosed
US-4814501-A Process for preparing N,N-dimethyl 2-(methylthio) benzamides and analogs MERCK & CO., INC. (US) 1989-03-21 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-20110305776-A1 THIOCHROMENE DERIVATIVES AS HIF HYDROXYLASE INHIBITORS HIF1AN, HIF1A, EGLN2 HSD17B10 425/4885NCEH1 402/4885NR4A2 622/4885
US-20150182528-A1 THIOCHROMENE DERIVATIVES AS HIF HYDROXYLASE INHIBITORS HIF1AN, HIF1A, EGLN2 HSD17B10 425/4885NCEH1 402/4885NR4A2 622/4885

“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.