SCHEMBL3756942

SCHEMBL3756942

O=C1CCCc2c1sc(Br)c2C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 4/20 0.39
KDM4E B2RXH2 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PTPN1 P18031 3/20 0.36
PTPRC P08575 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPRB P23467 1/20 0.33
PTPRE P23469 1/20 0.33
PTPN6 P29350 1/20 0.33
TNF P01375 1/20 0.33
NOD1 Q9Y239 1/20 0.33
MAPT P10636 4/20 0.33
RAB9A P51151 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 1/20 0.33
ESR2 Q92731 1/20 0.33
CTDSP1 Q9GZU7 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
SCHEMBL19320696 0.85 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAPOLBKDM4E
SCHEMBL31435555 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAPOLBKDM4E
SCHEMBL3492367 0.79 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAPOLBKDM4E
SCHEMBL3765154 0.77 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNAPOLBKDM4E
SCHEMBL3760404 0.77 MAPT (0.51) ALDH1A1SMN1; SMN2POLBKDM4EMAPT
SCHEMBL16290045 0.73 KDM4E (0.50) ALDH1A1SMN1; SMN2LMNAPOLBKDM4E
SCHEMBL6993898 0.73 PTPN1 (0.54) ALDH1A1LMNAPOLBKDM4EPTPN1
Hydrochloric Acid SCHEMBL5351087 0.71 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL5356705 0.71 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL31147431 0.71 KMT2A (0.47) ALDH1A1SMN1; SMN2LMNAPOLBKDM4E

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
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO 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-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA ALDH1A1 3061/4885SMN1; SMN2 1864/4885LMNA 4870/4885

“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.