Sugi Predict

Sugi Predict / Compounds / SCHEMBL17673192

SCHEMBL17673192

SCHEMBL17673192

C[C@H](CC(=O)O)Nc1c(Br)cc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ MAPT P10636 5/20 0.46
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ PKM P14618 1/20 0.44
▸ TDP1 Q9NUW8 4/20 0.44
▸ MAPK1 P28482 4/20 0.44
▸ GAA P10253 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HIF1A Q16665 1/20 0.40

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
SCHEMBL19518355 1.00 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL17680666 0.86 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL17673169 0.84 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL19518273 0.84 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL17673257 0.82 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL19518324 0.82 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL31023042 0.81 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL19518237 0.77 CYP1A2 (0.47) ALDH1A1MAPTTDP1CYP3A4CYP2C9
SCHEMBL17673191 0.77 CYP1A2 (0.47) ALDH1A1MAPTTDP1CYP3A4CYP2C9
SCHEMBL12246095 0.76 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108512-B Therapeutic compounds and uses thereof 基因泰克公司 2021-05-04 — — CN disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 — — EP disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 — — US disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 — — US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
EP-3204360-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2017-08-16 — — EP disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 — — 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-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 ALDH1A1 1533/4885MAPT 2745/4885MEN1 1807/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 ALDH1A1 1533/4885MAPT 2745/4885MEN1 1807/4885

“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.