SCHEMBL16707262

SCHEMBL16707262

CC(=O)Oc1ccc(Br)cc1C(=O)Nc1cc(C(C)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 7/20 0.61
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
P2RX1 P51575 12/20 0.46
MAPT P10636 2/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
P2RX7 Q99572 4/20 0.46
P2RX4 Q99571 3/20 0.46
POLB P06746 1/20 0.45
STAT3 P40763 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 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
SCHEMBL16707252 0.95 TMPRSS4 (0.67) TMPRSS4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16707260 0.88 TMPRSS4 (0.60) TMPRSS4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10282820 0.86 P2RX1 (0.57) TMPRSS4CYP1A2CYP2C19P2RX1MAPT
SCHEMBL16707253 0.83 TMPRSS4 (0.88) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL130511 0.82 TMPRSS4 (0.65) TMPRSS4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL133550 0.81 P2RX1 (0.63) TMPRSS4CYP1A2CYP2C19P2RX1MAPT
SCHEMBL129707 0.76 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL3496734 0.75 TMPRSS4 (0.56) TMPRSS4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16707257 0.74 TMPRSS4 (0.60) TMPRSS4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3499720 0.74 TMPRSS4 (0.54) TMPRSS4ALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873266-B2 Methods of treating or controlling cytotoxic cerebral edema consequent to an ischemic stroke AEROMICS, INC. (US) 2024-01-16 US disclosed
US-9994514-B2 Methods of treating cerebral edema and spinal cord edema AEROMICS, INC. (US) 2018-06-12 US disclosed
US-9949991-B2 Methods of treating aquaporin-mediated conditions AEROMICS, INC. (US) 2018-04-24 US disclosed
US-20180042873-A1 NOVEL METHODS AEROMICS, INC. (US) 2018-02-15 US disclosed
US-20160346302-A1 NOVEL METHODS AEROMICS, INC. (US) 2016-12-01 US disclosed
US-20150133405-A1 Methods AEROMICS, INC. 2015-05-14 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-20180042873-A1 NOVEL METHODS AQP4, AQP1, AQP3 TMPRSS4 2568/4885ALDH1A1 2220/4885CYP1A2 2106/4885
US-20160346302-A1 NOVEL METHODS AQP4, AQP1, AQP3 TMPRSS4 2227/4885ALDH1A1 3164/4885CYP1A2 3116/4885
US-20150133405-A1 Methods AQP4, AQP1, AQP3 TMPRSS4 1257/4885ALDH1A1 3934/4885CYP1A2 2493/4885
US-11873266-B2 Methods of treating or controlling cytotoxic cerebral edema consequent to an ischemic stroke AQP4, AQP1, AQP3 TMPRSS4 1444/4885ALDH1A1 4133/4885CYP1A2 2743/4885

“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.