SCHEMBL3906398

SCHEMBL3906398

COc1cccc(CSC(C)=O)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALKBH1 Q13686 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL3456935 0.80 RIPK1 (0.43) SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL8472837 0.79 HTT (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ATAAR1
SCHEMBL27455200 0.78 HTR2A (0.46) HTR2AHTR2CALDH1A1SMN1; SMN2CA12
SCHEMBL9173812 0.76 HPGD (0.48) MTNR1AMTNR1BALDH1A1SMN1; SMN2HPGD
SCHEMBL172225 0.76 HTR2A (0.46) HTR2AHTR2CSMN1; SMN2CA12CA1
SCHEMBL8695418 0.76 L3MBTL1 (0.39) MTNR1AMTNR1BALDH1A1SMN1; SMN2MEN1
SCHEMBL3234088 0.76 CXCL8 (0.53) SMN1; SMN2ALKBH1CA12CA1CA2
SCHEMBL489675 0.74 HTR2A (0.44) HTR2AHTR2CALDH1A1SMN1; SMN2ALKBH1
SCHEMBL422832 0.74 HTR2A (0.44) HTR2AHTR2CALDH1A1SMN1; SMN2ALKBH1
SCHEMBL13791152 0.74 HTR2A (0.43) HTR2AHTR2CALDH1A1SMN1; SMN2ALKBH1

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
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 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-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 HTR2A 2686/4885HTR2C 1643/4885MTNR1A 78/4885

“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.