SCHEMBL17037112

SCHEMBL17037112

CCc1cccc(-c2cccccc2=O)c1SC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 1/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
CYP2D6 P10635 1/20 0.37
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
LMNA P02545 4/20 0.33
S100A4 P26447 2/20 0.33
MGLL Q99685 1/20 0.33
ANPEP P15144 1/20 0.33
DPP4 P27487 1/20 0.33
PDK2 Q15119 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SOAT1 P35610 1/20 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
SCHEMBL17033194 0.79 CDC25B (0.39) MAP2K7CDC25ACDC25BS100A4ALDH1A1
SCHEMBL18311506 0.77 PDCD1 (0.47) MAP2K7CDC25ACDC25BCYP2D6GABRA1
SCHEMBL17039134 0.75 CYP2D6 (0.39) CYP2D6GABRA1GABRB2LMNAMGLL
SCHEMBL17034471 0.75 HTR1A (0.39) CYP2D6GABRA1GABRB2LMNAMGLL
SCHEMBL18649201 0.75 MAP2K7 (0.36) MAP2K7CDC25ACDC25BGABRA1GABRB2
SCHEMBL17033191 0.72 HDAC4 (0.43) MAP2K7CDC25ACDC25BCYP2D6GABRA1
SCHEMBL13895541 0.70 GABRA1 (0.43) GABRA1GABRB2LMNAALDH1A1GAA
SCHEMBL5190741 0.68 GABRA1 (0.41) GABRA1GABRB2LMNAALDH1A1NPC1
SCHEMBL22342193 0.66 CSNK2A2 (0.42) MAP2K7CDC25ACDC25BCYP2D6GABRA1
SCHEMBL9190050 0.66 GABRA1 (0.52) GABRA1GABRB2MGLLPDK2MAPT

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-9732103-B2 Carbamate, ester, and ketone compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9695205-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-20160362398-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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 (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-20160362398-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, CFH MAP2K7 3430/4885CDC25A 2595/4885CDC25B 2332/4885
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, F3 MAP2K7 1462/4885CDC25A 2835/4885CDC25B 2406/4885
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 MAP2K7 3628/4885CDC25A 1800/4885CDC25B 1606/4885

“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.