SCHEMBL2010037

SCHEMBL2010037

COC(=O)c1c(C)n(Cc2nc3ccccc3s2)c2ccc(F)cc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.72
MAPT P10636 5/20 0.51
ALDH1A1 P00352 4/20 0.51
PKM P14618 3/20 0.51
GAA P10253 3/20 0.51
PLA2G2A P14555 2/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 2/20 0.46
P2RX7 Q99572 1/20 0.45
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
HSD17B10 Q99714 2/20 0.43
HK1 P19367 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
DHODH Q02127 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4777221 0.83 PTGDR2 (0.70) PTGDR2MAPTALDH1A1GAALMNA
SCHEMBL2005637 0.83 PTGDR2 (1.00) PTGDR2PLA2G2ALMNAKDM4EP2RX7
SCHEMBL16558821 0.80 PTGDR2 (0.76) PTGDR2MAPTALDH1A1LMNAKDM4E
SCHEMBL3616598 0.76 PTGDR2 (0.59) PTGDR2MAPTALDH1A1GAALMNA
SCHEMBL2000586 0.74 PTGDR2 (0.76) PTGDR2MAPTALDH1A1PKMPLA2G2A
SCHEMBL15361940 0.74 PTGDR2 (0.58) PTGDR2MAPTALDH1A1GAALMNA
SCHEMBL2090561 0.74 PTGDR2 (1.00) PTGDR2PTGIRPTGDRAKR1B1
SCHEMBL27768501 0.73 PTGDR2 (0.56) PTGDR2MAPTALDH1A1P2RX7KLKB1
SCHEMBL27889104 0.73 PTGDR2 (0.58) PTGDR2MAPTALDH1A1GAALMNA
SCHEMBL4778730 0.73 PTGDR2 (0.56) PTGDR2MAPTALDH1A1GAAKDM4E

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-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 PTGDR2 68/4885MAPT 997/4885ALDH1A1 1229/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PTGDR2 157/4885MAPT 3753/4885ALDH1A1 178/4885

“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.