SCHEMBL20117050

SCHEMBL20117050

CC(C)n1nc(CCS(C)(=O)=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HTR4 Q13639 10/20 0.39
KCNH2 Q12809 2/20 0.38
PER2 O15055 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 1/20 0.36
SRC P12931 2/20 0.36
ABL1 P00519 1/20 0.36
HCK P08631 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR6 P50406 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MPO P05164 1/20 0.35

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
SCHEMBL18993246 0.77 MPO (0.45) POLBHTR4KMT2APDE4APDE4B
SCHEMBL6112453 0.75 POLB (0.47) POLBHTR4KMT2AMPO
SCHEMBL10103719 0.70 MPO (0.42) HTR4SRCABL1HCKKMT2A
SCHEMBL30014534 0.70 KMT2A (0.44) POLBHTR4KMT2APDE4APDE4B
SCHEMBL13322634 0.70 KMT2A (0.44) POLBHTR4KMT2APDE4APDE4B
SCHEMBL31495822 0.68 SMN1; SMN2 (0.49) POLBHTR4KMT2AMPO
SCHEMBL13174590 0.68 SMN1; SMN2 (0.49) POLBHTR4KMT2AMPO
SCHEMBL1272080 0.67 HTR2A (0.61) KMT2AHTR6HTR2A
SCHEMBL17321411 0.67 HTR4 (0.54) HTR4KCNH2KMT2ACA9HTR2A
SCHEMBL19699881 0.66 MPO (0.42) POLBHTR4KMT2APDE4APDE4B

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-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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 (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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 POLB 3788/4885HTR4 482/4885KCNH2 1329/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 POLB 3788/4885HTR4 482/4885KCNH2 1329/4885

“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.