SCHEMBL3092932

SCHEMBL3092932

Cc1ccc(C2SCCCCS2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MITF O75030 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 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
SCHEMBL9271980 0.95 MAPT (0.47) MAPTTSHRPOLBALDH1A1GAA
SCHEMBL5132106 0.91 MAPT (0.50) MAPTTSHRPOLBALDH1A1GAA
SCHEMBL7632848 0.83 TSHR (0.44) MAPTTSHRPOLBALDH1A1GAA
SCHEMBL9778636 0.80 MAPT (0.54) MAPTTSHRALDH1A1KDM4EKMT2A
SCHEMBL5909370 0.77 POLB (0.50) MAPTTSHRPOLBALDH1A1GAA
SCHEMBL9778819 0.77 MAPT (0.51) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL3096069 0.76 KDM4E (0.44) TSHRKDM4ENPC1RAB9AHTR2C
SCHEMBL9778699 0.75 MAPT (0.60) MAPTALDH1A1KDM4EKMT2ALMNA
SCHEMBL6434620 0.74 TSHR (0.43) TSHRKDM4ENPC1RAB9AHTR2C
SCHEMBL9358742 0.74 MAPT (0.44) MAPTALDH1A1ACHETDP1KDM4E

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
US-8629268-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-01-14 US disclosed
US-8629268-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-01-14 US disclosed
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-02-21 US disclosed
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-02-21 US disclosed
US-8227645-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-07-24 US disclosed
US-8227645-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-07-24 US disclosed
US-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-09-09 US disclosed
US-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-09-09 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-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND DHPS, GGPS1, COASY MAPT 4010/4885TSHR 4592/4885POLB 3007/4885
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND COASY, AKR1C4, AKR1C2 MAPT 3702/4885TSHR 4497/4885POLB 1910/4885

“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.