SCHEMBL19364121

SCHEMBL19364121

CCOC(=S)Sc1cc(Cl)c(OC)cc1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.36
▸ HTT P42858 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ P2RX3 P56373 1/20 0.35
▸ P2RX2 Q9UBL9 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL19364199 0.89 GAA (0.34) ALDH1A1MAPTP2RX3P2RX2GAA
SCHEMBL22281200 0.84 SMN1; SMN2 (0.38) ALDH1A1KDM4EMAPTP2RX3P2RX2
SCHEMBL19363992 0.76 HDAC3 (0.43) ALDH1A1HTTKDM4EMAPTGAA
SCHEMBL1633719 0.72 ALDH1A1 (0.41) ALDH1A1HTTKDM4EMAPTHPGD
SCHEMBL29754890 0.70 CA1 (0.33) ALDH1A1HPGDCA1CA2TSHR
SCHEMBL17964147 0.70 CA1 (0.33) ALDH1A1HPGDCA1CA2TSHR
SCHEMBL10104754 0.69 ALDH1A1 (0.44) ALDH1A1HTTKDM4EMAPTGAA
SCHEMBL16009468 0.69 HDAC3 (0.38) ALDH1A1HTTKDM4EMAPTGAA
SCHEMBL19364116 0.69 HTR2A (0.44) ALDH1A1MAPTP2RX3P2RX2GAA
SCHEMBL13178784 0.68 GAA (0.46) ALDH1A1KDM4EMAPTP2RX3P2RX2

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-10822311-B2 Pyrimidines and variants thereof, and uses therefor Afferent Pharmaceuticals, Inc. (US) 2020-11-03 — — US disclosed
US-10662162-B2 Pyrimidines and variants thereof, and uses therefor Afferent Pharmaceuticals, Inc. (US) 2020-05-26 — — US disclosed
US-20190055202-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC. (US) 2019-02-21 — — US disclosed
WO-2017165255-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC. (US) 2017-09-28 — — WO disclosed
WO-2017160569-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC. (US) 2017-09-21 — — 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 (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-10662162-B2 Pyrimidines and variants thereof, and uses therefor P2RX3, P2RX7, P2RX1 ALDH1A1 662/4885HTT 4113/4885KDM4E 4103/4885
US-10822311-B2 Pyrimidines and variants thereof, and uses therefor P2RX3, P2RX5, P2RX4 ALDH1A1 1586/4885HTT 3121/4885KDM4E 3807/4885
US-20190055202-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR P2RX3, P2RX7, P2RX1 ALDH1A1 662/4885HTT 4113/4885KDM4E 4103/4885

“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.

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