SCHEMBL16765243

SCHEMBL16765243

CC(C)(C)C(=O)/C(=N/Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.54
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
RECQL P46063 1/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
HTT P42858 3/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL4109450 1.00 S1PR3 (0.54) S1PR3MEN1KMT2AGAAMAPT
SCHEMBL4109455 1.00 S1PR3 (0.54) S1PR3MEN1KMT2AGAAMAPT
SCHEMBL4118759 0.94 MAPT (0.54) S1PR3MEN1KMT2AGAAMAPT
SCHEMBL4123454 0.94 S1PR3 (0.49) S1PR3MEN1KMT2AGAAMAPT
SCHEMBL4118763 0.94 MAPT (0.54) S1PR3MEN1KMT2AGAAMAPT
SCHEMBL4123456 0.94 S1PR3 (0.49) S1PR3MEN1KMT2AGAAMAPT
SCHEMBL4102773 0.93 S1PR3 (0.48) S1PR3MEN1KMT2AGAAMAPT
SCHEMBL4102776 0.93 S1PR3 (0.48) S1PR3MEN1KMT2AGAAMAPT
SCHEMBL4112762 0.93 S1PR3 (0.48) S1PR3MEN1KMT2AGAAMAPT
SCHEMBL4108040 0.93 S1PR3 (0.48) S1PR3MEN1KMT2AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3723801-B9 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A S1P MODULATOR BIORA THERAPEUTICS INC (US) 2023-10-04 EP disclosed
EP-3723801-B1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A S1P MODULATOR BIORA THERAPEUTICS INC (US) 2023-06-07 EP disclosed
US-20220135666-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A S1P MODULATOR GLAS USA LLC 2022-05-05 US disclosed
US-20210204539-A1 Method for Suppressing Freezing Damage and Composition for Preventing Freezing Damage KYOTO UNIVERSITY (JP) 2021-07-08 US disclosed
EP-3808176-A1 METHOD FOR SUPPRESSING FREEZING DAMAGE AND COMPOSITION FOR PREVENTING FREEZING DAMAGE Kyoto University (JP) 2021-04-21 EP disclosed
US-20190117596-A1 TY-52156 COMPOUNDS FOR THE TREATMENT OF CANCER WAYNE STATE UNIVERSITY (US) 2019-04-25 US disclosed
WO-2017190077-A1 TY-52156 COMPOUNDS FOR THE TREATMENT OF CANCER WAYNE STATE UNIVERSITY (US) 2017-11-02 WO disclosed
US-20150157584-A1 INHIBITORS OF HIPPO-YAP SIGNALING PATHWAY THE J. DAVID GLADSTONE INSTITUTES (US) 2015-06-11 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 (4 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-20190117596-A1 TY-52156 COMPOUNDS FOR THE TREATMENT OF CANCER S1PR3, S1PR1, S1PR4 S1PR3 1/4885MEN1 1023/4885KMT2A 865/4885
US-20150157584-A1 INHIBITORS OF HIPPO-YAP SIGNALING PATHWAY YAP1, MST1, YES1 S1PR3 2662/4885MEN1 3506/4885KMT2A 2380/4885
US-20220135666-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A S1P MODULATOR S1PR2, S1PR1, S1PR4 S1PR3 5/4885MEN1 306/4885KMT2A 2761/4885
US-20210204539-A1 Method for Suppressing Freezing Damage and Composition for Preventing Freezing Damage SPHK1, S1PR1, SPHK2 S1PR3 6/4885MEN1 1393/4885KMT2A 4504/4885

“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.