Sugi Predict

Sugi Predict / Compounds / SCHEMBL13060152

SCHEMBL13060152

SCHEMBL13060152

Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCOCC3)cc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ TSHR P16473 2/20 0.40
▸ MAPT P10636 4/20 0.39
▸ GAA P10253 2/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ USP2 O75604 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ UBE2M P61081 1/20 0.36
▸ DCUN1D1 Q96GG9 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CCR5 P51681 1/20 0.36

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
SCHEMBL15088260 0.95 ALDH1A1 (0.42) ALDH1A1TSHRMAPTGAACNR1
SCHEMBL13060153 0.94 GAA (0.40) ALDH1A1MAPTGAACNR1CNR2
SCHEMBL30191057 0.94 ALDH1A1 (0.48) ALDH1A1TSHRMAPTGAAUSP2
SCHEMBL13060084 0.94 ALDH1A1 (0.46) ALDH1A1TSHRMAPTGAAUSP2
SCHEMBL12176470 0.94 ALDH1A1 (0.48) ALDH1A1TSHRMAPTGAAUSP2
SCHEMBL13304238 0.94 ALDH1A1 (0.48) ALDH1A1TSHRMAPTGAAUSP2
SCHEMBL29726762 0.94 ALDH1A1 (0.48) ALDH1A1TSHRMAPTGAAUSP2
SCHEMBL2565247 0.94 ALDH1A1 (0.48) ALDH1A1TSHRMAPTGAAUSP2
SCHEMBL18609857 0.94 ALDH1A1 (0.48) ALDH1A1TSHRMAPTGAAUSP2
SCHEMBL12176271 0.93 ALDH1A1 (0.47) ALDH1A1TSHRMAPTGAAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102258-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2023-03-30 — — US disclosed
US-20170114017-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2017-04-27 — — US disclosed
US-9573897-B2 C5AR antagonists CHEMOCENTRYX, INC. (US) 2017-02-21 — — US disclosed
US-20160229802-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2016-08-11 — — US disclosed
US-9126939-B2 C5AR antagonists CHEMOCENTRYX, INC. 2015-09-08 — — US disclosed
US-20130172347-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2013-07-04 — — US disclosed
US-20100311753-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-12-09 — — 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 (5 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-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885TSHR 297/4885MAPT 4107/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885TSHR 297/4885MAPT 4107/4885
US-20230102258-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885TSHR 297/4885MAPT 4107/4885
US-20100311753-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885TSHR 297/4885MAPT 4107/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885TSHR 297/4885MAPT 4107/4885

“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.