SCHEMBL21858596

SCHEMBL21858596

Cc1nc(C2CC(F)(F)C2)sc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
KDM4E B2RXH2 4/20 0.39
RAB9A P51151 4/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 3/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 2/20 0.35
CNR1 P21554 3/20 0.35
GPR35 Q9HC97 1/20 0.34
TARBP2 Q15633 1/20 0.34
HSP90AA1 P07900 1/20 0.33
CNR2 P34972 1/20 0.32
PKM P14618 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL6761817 0.82 ALDH1A1 (0.52) ALDH1A1TSHRHPGDSMN1; SMN2PIK3CD
SCHEMBL18114152 0.79 ALDH1A1 (0.49) ALDH1A1TSHRHPGDSMN1; SMN2PIK3CD
SCHEMBL21858616 0.79 ALDH1A1 (0.49) ALDH1A1TSHRHPGDSMN1; SMN2PIK3CD
SCHEMBL4762312 0.78 ALDH1A1 (0.47) ALDH1A1TSHRHPGDSMN1; SMN2PIK3CD
SCHEMBL21858733 0.75 PIK3CD (0.52) ALDH1A1TSHRHPGDSMN1; SMN2PIK3CD
SCHEMBL18114129 0.73 PIK3CD (0.47) ALDH1A1TSHRHPGDSMN1; SMN2PIK3CD
Hydrochloric Acid SCHEMBL20378314 0.73 PIK3CD (0.43) ALDH1A1TSHRHPGDSMN1; SMN2PIK3CD
SCHEMBL4419714 0.71 TSHR (0.41) ALDH1A1TSHRHPGDSMN1; SMN2PIK3CD
Hydrochloric Acid SCHEMBL21858794 0.69 PIK3CD (0.40) ALDH1A1TSHRHPGDSMN1; SMN2PIK3CD
SCHEMBL19128679 0.69 PIK3CD (0.60) ALDH1A1TSHRHPGDSMN1; SMN2PIK3CD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355106-A1 NEW AMINO-PYRIMIDONYL-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2021-11-18 US disclosed
CN-113038990-A Novel amino-pyrimidinone-piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-06-25 CN disclosed
WO-2020079205-A1 NEW AMINO-PYRIMIDONYL-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2020-04-23 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 (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-20210355106-A1 NEW AMINO-PYRIMIDONYL-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM QDPR, QARS1, QPCTL ALDH1A1 1957/4885TSHR 1434/4885HPGD 1728/4885

“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.